SCHEMBL22859699

SCHEMBL22859699

Cc1cc(OCc2c(S(C)(=O)=O)ccc(C(=O)C3=C(O)CCCC3=O)c2Cl)n(CC(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.34
CRHR1 P34998 1/20 0.33
CCR1 P32246 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
SCHEMBL22859631 0.91 CRHR1 (0.31) RORCCRHR1
SCHEMBL22859642 0.88 RORC (0.33) RORC
SCHEMBL22859731 0.87 RORC (0.32) RORC
SCHEMBL29736590 0.87 RORC (0.32) RORC
SCHEMBL22859632 0.84 KDM5A (0.34) RORC
SCHEMBL22859548 0.83 ALDH1A1 (0.36) RORC
SCHEMBL3669850 0.80 SMN1; SMN2 (0.32)
SCHEMBL22859556 0.78
SCHEMBL22859704 0.78
SCHEMBL28523331 0.76 RORC (0.33) RORCCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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