SCHEMBL29435263

SCHEMBL29435263

COC(=O)C1=C(c2cc(-c3ccc(Cl)cc3Cl)ccc2C2CC2)C(=O)C(C)(C)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.44
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
TP53 P04637 2/20 0.37
CNR1 P21554 7/20 0.35
CNR2 P34972 6/20 0.35
KCNH2 Q12809 5/20 0.35
ALPL P05186 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL28337836 1.00 SLC6A3 (0.44) SLC6A3EDNRBEDNRATP53CNR1
SCHEMBL29435285 0.91 GPBAR1 (0.39) SLC6A3TP53
SCHEMBL15484272 0.85 SLC6A3 (0.39) SLC6A3EDNRBEDNRATP53CNR1
SCHEMBL31127711 0.85 SLC6A3 (0.39) SLC6A3EDNRBEDNRATP53CNR1
SCHEMBL29435275 0.84 EDNRB (0.39) SLC6A3EDNRBEDNRACNR1CNR2
SCHEMBL10121157 0.84 EDNRB (0.39) SLC6A3EDNRBEDNRACNR1CNR2
SCHEMBL29642949 0.84 EDNRB (0.42) SLC6A3EDNRBEDNRATP53CNR1
SCHEMBL28340103 0.84 CNR1 (0.37) SLC6A3CNR1ALPLHSD17B10PTGS2
SCHEMBL29435267 0.84 CNR1 (0.37) SLC6A3CNR1ALPLHSD17B10PTGS2
SCHEMBL29384538 0.83 EDNRB (0.39) SLC6A3EDNRBEDNRATP53CNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115460923-A Glufosinate formulations containing amines or ammonium salts 巴斯夫欧洲公司 2022-12-09 CN disclosed
CN-114980740-A Novel additives for agrochemical formulations 巴斯夫欧洲公司 2022-08-30 CN disclosed
CN-114249710-A Herbicidal uracils 巴斯夫欧洲公司 2022-03-29 CN disclosed
CN-109311842-B Herbicidal uracils 巴斯夫欧洲公司 2022-03-25 CN disclosed