SCHEMBL28584601

SCHEMBL28584601

CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc(N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 12/20 0.48
▸ PPARD Q03181 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ FFAR1 O14842 1/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ EPAS1 Q99814 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 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
SCHEMBL28584604 1.00 RORC (0.48) RORCPPARDPPARACA1CA2
SCHEMBL23632476 0.90 FFAR1 (0.46) RORCPPARDPPARACA1CA2
SCHEMBL23632478 0.90 FFAR1 (0.46) RORCPPARDPPARACA1CA2
SCHEMBL28600738 0.87 RORC (0.45) RORCHIF1AEPAS1
SCHEMBL28600736 0.87 RORC (0.45) RORCHIF1AEPAS1
SCHEMBL28585300 0.86 RORC (0.47) RORC
SCHEMBL23636751 0.85 RORC (0.54) RORC
SCHEMBL30842592 0.84 RORC (0.45) RORCHIF1AEPAS1
SCHEMBL23636942 0.84 HDAC1 (0.60) RORC
SCHEMBL21619696 0.83 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072521-B ROR gamma t inhibitor and application thereof in medicines 广东东阳光药业股份有限公司 2024-04-05 — — CN disclosed
CN-113072521-A ROR gamma t inhibitor and application thereof in medicine 广东东阳光药业有限公司 2021-07-06 — — CN disclosed
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