SCHEMBL30842592

SCHEMBL30842592

CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc(N3CCN(Cc4ccc(C(F)(F)F)cc4)CC34COC4)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 19/20 0.45
▸ HIF1A Q16665 1/20 0.40
▸ EPAS1 Q99814 1/20 0.40

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 0.84 RORC (0.48) RORCHIF1AEPAS1
SCHEMBL28584601 0.84 RORC (0.48) RORCHIF1AEPAS1
SCHEMBL28600736 0.80 RORC (0.45) RORCHIF1AEPAS1
SCHEMBL28600738 0.80 RORC (0.45) RORCHIF1AEPAS1
SCHEMBL28585300 0.80 RORC (0.47) RORC
SCHEMBL23636942 0.78 HDAC1 (0.60) RORC
SCHEMBL28577991 0.77 HIF1A (0.48) HIF1AEPAS1
SCHEMBL28578211 0.77 HIF1A (0.48) HIF1AEPAS1
SCHEMBL21619696 0.77 RORC (0.51) RORC
SCHEMBL25136821 0.77 RORC (0.40) RORCHIF1AEPAS1

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
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
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