SCHEMBL69420

SCHEMBL69420

CCCCOc1oc2ccc(I)cc2c(=O)c1CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.39
LTB4R Q15722 2/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PGAM1 P18669 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29451185 1.00 APP (0.39) APPLTB4RALDH1A1KDM4EHPGD
SCHEMBL483576 0.96 LTB4R (0.41) APPLTB4RALDH1A1KDM4EHPGD
SCHEMBL344030 0.94 CYP2A6 (0.37) APPLTB4RALDH1A1KDM4EHPGD
Carbamic Acid SCHEMBL4557178 0.93 LTB4R (0.41) APPLTB4RALDH1A1KDM4EHPGD
SCHEMBL3657351 0.91 LTB4R (0.37) APPLTB4RALDH1A1KDM4EHPGD
SCHEMBL343039 0.91 KDM4E (0.37) APPLTB4RALDH1A1KDM4EHPGD
SCHEMBL13038104 0.89 ALDH1A1 (0.39) APPLTB4RALDH1A1KDM4EHPGD
SCHEMBL747965 0.87 APP (0.33) APPLTB4RALDH1A1KDM4EHPGD
SCHEMBL6029914 0.87 APP (0.43) APPALDH1A1KDM4EHPGDNPC1
SCHEMBL19908186 0.86 MAPT (0.46) LTB4RALDH1A1KDM4EHPGDNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 5387 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12163142-B2 Methods for manufacturing plant messenger packs FLAGSHIP PIONEERING INNOVATIONS VI, LLC (US) 2024-12-10 US claimed
US-20240141370-A1 AGRICULTURAL COMPOSITIONS AND RELATED METHODS FLAGSHIP PIONEERING INNOVATIONS VI LLC (US) 2024-05-02 US claimed
US-20230413824-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2023-12-28 US claimed
US-11827897-B2 Agricultural compositions and related methods FLAGSHIP PIONEERING INNOVATIONS VI, LLC (US) 2023-11-28 US claimed
EP-4250926-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI Industries Ltd. (IN) 2023-10-04 EP claimed
CN-116801720-A Novel agrochemical compositions comprising 3-substituted benzamidine compounds and uses thereof 皮埃企业有限公司 2023-09-22 CN claimed
CN-108658816-B N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides 拜尔农作物科学股份公司 2023-05-02 CN claimed
US-20230047569-A1 PESTICIDAL COMPLEX COMPOSITIONS FOR SYNERGISTIC DELIVERY OF PESTICIDAL ACTIVE INGREDIENTS AND METHODS OF SELECTION THEREOF 0903608 B.C. LTD. (CA) 2023-02-16 US claimed
US-20230000081-A1 SYNERGISTIC PESTICIDAL COMPOSITIONS FOR DELIVERY OF PESTICIDAL ACTIVE INGREDIENTS AND METHODS THEREFOR 0903608 B.C. LTD. (CA) 2023-01-05 US claimed
WO-2022243810-A1 NOVEL AGROCHEMICAL COMPOSITION COMPRISING PIPERIDINE THIAZOLE COMPOUNDS PI INDUSTRIES LTD. (IN) 2022-11-24 WO claimed
WO-2006069716-A1 FUNGICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2006-07-06 WO claimed
EP-1675461-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience AG (DE) 2006-07-05 EP claimed
EP-1570738-A1 Fungicidal composition comprising a pyridylethylbenzamide derivative and a compound capable of inhibiting the spores germination or mycelium growth by acting on different metabolic routes Bayer CropScience S.A. (FR) 2005-09-07 EP claimed
WO-2005077181-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE SPORES GERMINATION OR MYCELIUM GROWTH BY ACTING ON DIFFERENT METABOLIC ROUTES BAYER CROPSCIENCE SA (FR) 2005-08-25 WO claimed
WO-2005077183-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE ERGOSTEROL BIOSYNTHESIS BAYER CROPSCIENCE SA (FR) 2005-08-25 WO claimed
EP-1563731-A1 Fungicidal composition comprising a pyridylethylbenzamide derivative and a compound capable of inhibiting the ergosterol biosynthesis Bayer CropScience S.A. (FR) 2005-08-17 EP claimed
WO-2005058036-A1 FUNGICIDE COMPOSITION COMPRISING AT LEAST ONE FUNGICIDAL IODOCHROMONE DERIVATIVE AND AT LEAST ONE FUNGICIDAL PYRIMIDINE DERIVATIVE BAYER CROPSCIENCE SA (FR) 2005-06-30 WO claimed
EP-1543723-A1 Fungicide composition comprising at least one fungicidal iodochromone derivative and at least one fungicidal pyrimidine derivative Bayer CropScience S.A. (FR) 2005-06-22 EP claimed
WO-2005041653-A2 SYNERGISTIC FUNGICIDAL ACTIVE COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 WO claimed
WO-2005034628-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-04-21 WO claimed