SCHEMBL23636782

SCHEMBL23636782

CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc(N3CCCC3)c(F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 12/20 0.51
▸ MAPT P10636 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ GFER P55789 1/20 0.46

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
SCHEMBL23642254 0.89 MAPT (0.47) RORCMAPTALDH1A1HPGDTSHR
SCHEMBL23636724 0.84 RORC (0.55) RORC
SCHEMBL23636838 0.83 RORC (0.54) RORC
SCHEMBL23636622 0.79 ACACB (0.51) RORC
SCHEMBL28596428 0.79 RORC (0.54) RORC
SCHEMBL28596432 0.79 RORC (0.54) RORC
SCHEMBL28671062 0.79 RORC (0.49) RORC
SCHEMBL30065136 0.77 RORC (0.53) RORCALDH1A1KMT2A
SCHEMBL30485945 0.77 RORC (0.53) RORCALDH1A1KMT2A
SCHEMBL23636762 0.76 WDR91 (0.55) RORCMAPTALDH1A1RAB9ANPC1

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-2021139599-A1 RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 东莞市东阳光新药研发有限公司 2021-07-15 — — WO disclosed
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