SCHEMBL21619482

SCHEMBL21619482

CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(N3CCC(c4ccc(C(F)(F)F)cc4)C3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.55
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
TRPA1 O75762 1/20 0.46
EPHX2 P34913 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL21619519 1.00 RORC (0.55) RORCCA1CA2CA7CA9
SCHEMBL21619601 0.95 RORC (0.55) RORCCA1CA2CA7CA9
SCHEMBL28532892 0.93 RORC (0.51) RORC
SCHEMBL21619885 0.90 RORC (0.52) RORC
SCHEMBL23632436 0.88 RORC (0.53) RORC
SCHEMBL21619988 0.88 RORC (0.52) RORC
SCHEMBL21619751 0.88 RORC (0.54) RORC
SCHEMBL21619981 0.88 RORC (0.52) RORC
SCHEMBL23632415 0.88 RORC (0.53) RORCCA1CA2CA7CA9
SCHEMBL21619557 0.87 RORC (0.49) RORCCA1CA2CA7CA9

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-2020011147-A1 RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-01-16 WO disclosed