SCHEMBL21874

SCHEMBL21874

CC1=C(C(=O)Nc2ccccc2)CCCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
KMT2A Q03164 2/20 0.49
DHODH Q02127 2/20 0.49
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
PKM P14618 3/20 0.44
NFKB1 P19838 1/20 0.44
MAOB P27338 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KDR P35968 2/20 0.43
POLB P06746 1/20 0.42
PARP1 P09874 1/20 0.42
PARP15 Q460N3 1/20 0.42

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
SCHEMBL7019511 0.91 HSD17B10 (0.58) MAPK1HSD17B10NPC1RAB9AKMT2A
Oxycarboxin SCHEMBL4335924 0.87 NPC1 (0.46) MAPK1HSD17B10NPC1RAB9AKMT2A
SCHEMBL11675258 0.81 RAB9A (0.46) MAPK1HSD17B10NPC1RAB9AKMT2A
Amitraz SCHEMBL19384846 0.79 CYP3A4 (0.47) MAPK1HSD17B10NPC1RAB9AKMT2A
SCHEMBL28691421 0.78 NPC1 (0.51) MAPK1HSD17B10NPC1RAB9AHPGD
SCHEMBL11346358 0.78 DHODH (0.54) HSD17B10NPC1RAB9AKMT2ADHODH
Oxycarboxin SCHEMBL11633226 0.77 KMT2A (0.42) MAPK1HSD17B10NPC1RAB9AKMT2A
SCHEMBL9738182 0.76 HSD17B10 (0.64) MAPK1HSD17B10NPC1RAB9AKMT2A
SCHEMBL8762690 0.74 DHODH (0.76) DHODHHPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL3915670 0.74 DHODH (0.81) NPC1RAB9AKMT2ADHODHSMN1; SMN2

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 4173 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
EP-3578542-B1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-11-12 EP claimed
EP-4646109-A2 NATURAL LIPID PARTICLE FORMULATIONS FOR AGRICULTURAL APPLICATIONS Invaio Sciences, Inc. (US) 2025-11-12 EP claimed
EP-3578543-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-08-20 EP claimed
EP-3578541-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-05-28 EP claimed
CN-120044159-A Polygonatum sibiricum medicinal material species identification method based on polygonatum sibiricum characteristic compound and application 河北北方学院 2025-05-27 CN claimed
US-12163142-B2 Methods for manufacturing plant messenger packs FLAGSHIP PIONEERING INNOVATIONS VI, LLC (US) 2024-12-10 US claimed
WO-2024168193-A2 NATURAL LIPID PARTICLE FORMULATIONS FOR AGRICULTURAL APPLICATIONS INVAIO SCIENCES, INC. (US) 2024-08-15 WO claimed
US-20240188569-A1 NEW YEAST STRAIN AND ITS USES FOR THE CONTROL OF PHYTOPATHOGENS AGROVENTURES LLC (US) 2024-06-13 US claimed
US-20240141370-A1 AGRICULTURAL COMPOSITIONS AND RELATED METHODS FLAGSHIP PIONEERING INNOVATIONS VI LLC (US) 2024-05-02 US claimed
CN-1812715-A Active substance combinations with nematicidal, insecticidal and fungicidal properties based on trifluorobutenyl compounds BAYER CROPSCIENCE AG (DE) 2006-08-02 CN claimed
EP-1453817-B1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2006-04-26 EP claimed
EP-1622453-A1 ACTIVE SUBSTANCE COMBINATIONS THAT HAVE NEMATICIDAL, INSECTICIDAL, AND FUNGICIDAL PROPERTIES AND ARE BASED ON TRIFLUOROBUTENYL COMPOUNDS Bayer CropScience AG (DE) 2006-02-08 EP claimed
US-20050065197-A1 Thiazole derivatives with fungicidal activity ISAGRO RICERCA S.R.L. (IT) 2005-03-24 US claimed
WO-2004095929-A1 ACTIVE SUBSTANCE COMBINATIONS THAT HAVE NEMATICIDAL, INSECTICIDAL, AND FUNGICIDAL PROPERTIES AND ARE BASED ON TRIFLUOROBUTENYL COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-11-11 WO claimed
EP-1453817-A1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2004-09-08 EP claimed
WO-2003050096-A1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2003-06-19 WO claimed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO claimed
WO-2000062792-A2 COMPOSITIONS AND METHODS FOR CONTROLLING PESTS INSECT BIOTECHNOLOGY, INC. (US) 2000-10-26 WO claimed
US-5730996-A Intercalates and expoliates formed with organic pesticide compounds and compositions containing the same AMCOL INTERNATIONAL CORPORATION (US) 1998-03-24 US claimed