SCHEMBL21619504

SCHEMBL21619504

CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc(N3CCC[C@H](c4ccc(C(F)(F)F)cc4)C3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 14/20 0.46
▸ WDR91 A4D1P6 2/20 0.44
▸ TRPA1 O75762 4/20 0.42

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
SCHEMBL21619861 1.00 RORC (0.46) RORCWDR91TRPA1
SCHEMBL21619846 0.95 RORC (0.49) RORCWDR91
SCHEMBL21620254 0.89 RORC (0.48) RORC
SCHEMBL21620089 0.88 PPARD (0.46) RORCWDR91
SCHEMBL28588632 0.87 ACACB (0.47) RORC
SCHEMBL28588631 0.87 ACACB (0.47) RORC
SCHEMBL21619709 0.87 RORC (0.46) RORCWDR91TRPA1
SCHEMBL21619864 0.86 RORC (0.47) RORC
SCHEMBL21619532 0.85 RORC (0.47) RORCTRPA1
SCHEMBL21620156 0.84 RORC (0.51) 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
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