SCHEMBL28619990

SCHEMBL28619990

CCS(=O)(=O)c1ccc(C(CC(=O)O)NC(=O)c2ccc3c(c2)OCCN3c2cc(C3CC3)nc(C3CC3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ RORC P51449 16/20 0.39
▸ F2 P00734 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36

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
SCHEMBL23618999 1.00 GAA (0.41) GAARORCF2ITGB3ITGA2B
SCHEMBL23611040 0.92 RORC (0.46) RORC
SCHEMBL23611042 0.92 RORC (0.46) RORC
SCHEMBL23618977 0.92 GAA (0.42) GAARORCF2ITGB3ITGA2B
SCHEMBL28615402 0.92 GAA (0.42) GAARORCF2ITGB3ITGA2B
SCHEMBL28624615 0.90 RORC (0.38) GAARORC
SCHEMBL23619090 0.90 RORC (0.38) GAARORC
SCHEMBL23619000 0.85 RORC (0.35) GAARORC
SCHEMBL23619019 0.84 RORC (0.48) RORC
SCHEMBL28614477 0.84 RORC (0.48) 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
CN-113121463-A Amide compound with bicyclic structure and application thereof in medicines 广东东阳光药业有限公司 2021-07-16 — — CN disclosed
Send feedback