SCHEMBL23636735

SCHEMBL23636735

CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc(N3CC[C@@H](Oc4ccc(C(F)(F)F)cc4)C3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.51
RORC P51449 4/20 0.47

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
SCHEMBL23636605 0.91 ACACB (0.51) ACACB
SCHEMBL23632785 0.89 ACACB (0.53) ACACB
SCHEMBL23632651 0.89 ACACB (0.53) ACACB
SCHEMBL23632744 0.89 ACACB (0.53) ACACB
SCHEMBL23632653 0.89 ACACB (0.53) ACACB
SCHEMBL23632788 0.89 ACACB (0.53) ACACB
SCHEMBL23632656 0.89 ACACB (0.53) ACACB
SCHEMBL23636889 0.89 ACACB (0.58) ACACBRORC
SCHEMBL28590914 0.89 ACACB (0.58) ACACBRORC
SCHEMBL21619539 0.87 RORC (0.50) ACACBRORC

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