SCHEMBL21619696

SCHEMBL21619696

CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc(N3CCN(c4ccc(C(F)(F)F)cc4)C3=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 18/20 0.51
▸ HDAC1 Q13547 1/20 0.46
▸ PDE2A O00408 1/20 0.43

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
SCHEMBL21619697 0.96 RORC (0.50) RORCPDE2A
SCHEMBL23636942 0.92 HDAC1 (0.60) RORCHDAC1
SCHEMBL21619715 0.86 RORC (0.47) RORC
SCHEMBL21619742 0.85 RORC (0.43) RORC
SCHEMBL21619695 0.85 RORC (0.45) RORC
SCHEMBL30065059 0.85 MCHR1 (0.48) RORC
SCHEMBL28600987 0.85 MCHR1 (0.48) RORC
SCHEMBL23636960 0.85 MCHR1 (0.48) RORC
SCHEMBL21619714 0.83 RORC (0.43) RORC
SCHEMBL23619004 0.83 RORC (0.49) RORC

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
Send feedback