SCHEMBL21619941

SCHEMBL21619941

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 16/20 0.52
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ LSS P48449 1/20 0.44
▸ MAOA P21397 1/20 0.44

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
SCHEMBL23636630 0.86 MCHR1 (0.51) RORCHDAC8HDAC6
SCHEMBL21619939 0.82 RORC (0.50) RORCLSSMAOA
SCHEMBL21619942 0.82 RORC (0.50) RORCLSSMAOA
SCHEMBL21619519 0.81 RORC (0.55) RORC
SCHEMBL21619482 0.81 RORC (0.55) RORC
SCHEMBL21619601 0.80 RORC (0.55) RORC
SCHEMBL21620164 0.80 RORC (0.49) RORCLSSMAOA
SCHEMBL21619863 0.79 RORC (0.49) RORC
SCHEMBL21619717 0.79 RORC (0.52) RORCLSSMAOA
SCHEMBL21619610 0.79 RORC (0.52) RORCLSSMAOA

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
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