SCHEMBL22859720

SCHEMBL22859720

Cc1cc(OCc2c(S(C)(=O)=O)ccc(C(=O)c3c(C)nn(C)c3OCC(=O)c3ccccc3)c2Cl)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.40
GPBAR1 Q8TDU6 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 4/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HBB P68871 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 2/20 0.31
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
NR3C1 P04150 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL29736721 1.00 ABCB1 (0.40) ABCB1GPBAR1LMNAALDH1A1ALOX15
SCHEMBL22859644 0.90 ALDH1A1 (0.42) ABCB1GPBAR1LMNAALDH1A1KDM4E
SCHEMBL23061286 0.88 ABCB1 (0.43) ABCB1GPBAR1LMNAALDH1A1ALOX15
SCHEMBL22859687 0.87 ABCB1 (0.37) ABCB1GPBAR1LMNAALDH1A1ALOX15
SCHEMBL22859613 0.84 GPBAR1 (0.32) GPBAR1SMN1; SMN2MAPT
SCHEMBL23061050 0.81 ABCB1 (0.39) ABCB1GPBAR1LMNA
SCHEMBL29736550 0.80 TSHR (0.35) LMNAALDH1A1TSHRKDM5AKDM4C
SCHEMBL22859531 0.80 TSHR (0.35) LMNAALDH1A1TSHRKDM5AKDM4C
SCHEMBL22859694 0.80 ALDH1A1 (0.39) ALDH1A1
SCHEMBL28549004 0.78 RORC (0.31) LMNAALDH1A1TSHRKDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112689626-B Substituted benzoyl-pyrazole compounds and application thereof in agriculture 东莞市东阳光农药研发有限公司 2022-08-12 CN disclosed
CN-112689626-A Substituted benzoyl-pyrazole compounds and application thereof in agriculture 东莞市东阳光农药研发有限公司 2021-04-20 CN disclosed
WO-2021000736-A1 SUBSTITUTED BENZOYL-PYRAZOLE COMPOUND, AND APPLICATION THEREOF IN AGRICULTURE 东莞市东阳光农药研发有限公司 2021-01-07 WO disclosed