SCHEMBL2831671

SCHEMBL2831671

COCC(=O)N(c1c(C)cccc1C)C(C)(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
PLA2G1B P04054 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
TP53 P04637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
OPRM1 P35372 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NLRP3 Q96P20 2/20 0.33
PPID Q08752 1/20 0.32
PTPN1 P18031 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4211455 0.87 GAA (0.36) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL3689800 0.82 ALDH1A1 (0.45) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11408368 0.82 ALDH1A1 (0.33) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11112769 0.81 MEN1 (0.35) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11154647 0.80 RORC (0.35) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL4508932 0.79 TRPM8 (0.48) KMT2AMEN1HTTTP53GAA
SCHEMBL11377018 0.76 KMT2A (0.37) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL1108457 0.73 MEN1 (0.43) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11392628 0.73 ALDH1A1 (0.31) TP53ALDH1A1CYP3A4TDP1OPRM1
SCHEMBL10962535 0.72 S1PR4 (0.40) KMT2AMEN1PLA2G1BATG4BTP53

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

Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1736471-B1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES MITSUI CHEMICALS AGRO INC (JP) 2014-01-08 EP claimed
US-7160841-B2 Uniformly spreadable granular agricultural chemicals formulation and method for scattering (applying) thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-01-09 US claimed
EP-1448057-B1 SEED TREATMENT COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2006-05-24 EP claimed
EP-0979034-B1 COMPOSITION FOR CONTROLLING HARMFUL BIO-ORGANISMS AND METHOD FOR CONTROLLING HARMFUL BIO-ORGANISMS USING THE SAME ISHIHARA SANGYO KAISHA (JP) 2003-02-26 EP claimed
EP-0946093-B1 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO SPA (IT) 2002-08-28 EP claimed
US-6228885-B1 Fungicidal compositions based on (N-phenylacetyl-N-2,6-XYLYL)methyl alaninate ISAGRO S.P.A. (IT) 2001-05-08 US claimed
US-12022761-B2 Treatment for plant seeds INCOTEC HOLDING B.V. (NL) 2024-07-02 US disclosed
EP-3154331-B1 TREATMENT FOR PLANT SEEDS INCOTEC HOLDING B V (NL) 2023-12-13 EP disclosed
CN-113423262-B Flowable concentrate composition for agricultural seeds 陶氏环球技术有限责任公司 2023-09-26 CN disclosed
CN-113423262-A Flowable concentrate composition for agricultural seeds 陶氏环球技术有限责任公司 2021-09-21 CN disclosed
CN-110831914-A Methods and compositions for improving nutrient acquisition in plants 欧洲化学农业有限公司 2020-02-21 CN disclosed
US-20180310552-A1 Composition comprising a safener, a fungicide and metalaxyl BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-01 US disclosed
US-20170127603-A1 TREATMENT FOR PLANT SEEDS INCOTEC HOLDING B.V. (NL) 2017-05-11 US disclosed
EP-0177485-B1 SEED DRESSINGS CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-07-26 EP disclosed
US-4514402-A 1,2,4-TRIAZOLE AND QUINOXALINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1985-04-30 US disclosed
US-4272551-A N-Sulfenylated formanilides useful as fungicides and bactericides BASF AKTIENGESELLSCHAFT (DE) 1981-06-09 US disclosed
EP-0008731-B1 N-SULFENYL FORMANILIDES, THEIR PREPARATION AND THEIR USE AS FUNGICIDES BASF Aktiengesellschaft (DE) 1981-05-13 EP disclosed
US-4261924-A FUNGICIDES, BACTERICIDES BASF AKTIENGESELLSCHAFT (DE) 1981-04-14 US disclosed
EP-0008731-A1 N-sulfenyl formanilides, their preparation and their use as fungicides BASF Aktiengesellschaft (DE) 1980-03-19 EP disclosed
EP-0002671-A1 Triazolylglycol ethers, process for their preparation and their use as fungicides BASF Aktiengesellschaft (DE) 1979-07-11 EP disclosed