SCHEMBL23078645

SCHEMBL23078645

CCN(CC)C(=O)Cc1cccc(-c2cccc(COc3cc(O)c(C=O)cc3Cl)c2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 17/20 0.44
▸ PDCD1 Q15116 16/20 0.44
▸ PTGER1 P34995 2/20 0.35
▸ PTGER4 P35408 2/20 0.35
▸ PTGER3 P43115 2/20 0.35
▸ PTGER2 P43116 2/20 0.35
▸ MCL1 Q07820 1/20 0.35

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
SCHEMBL23078636 0.87 PDCD1 (0.46) CD274PDCD1PTGER1PTGER4PTGER3
SCHEMBL23078648 0.87 CD274 (0.44) CD274PDCD1PTGER1PTGER4PTGER3
SCHEMBL23078768 0.86 PDCD1 (0.57) CD274PDCD1
SCHEMBL23078707 0.85 PDCD1 (0.53) CD274PDCD1
SCHEMBL23078865 0.84 CD274 (0.44) CD274PDCD1PTGER1PTGER4PTGER3
SCHEMBL23078866 0.82 FFAR1 (0.47) CD274PDCD1PTGER1PTGER4PTGER3
SCHEMBL23078706 0.81 CD274 (0.52) CD274PDCD1MCL1
SCHEMBL23078496 0.80 CD274 (0.48) CD274PDCD1PTGER1PTGER4PTGER3
SCHEMBL23078779 0.77 PDCD1 (0.51) CD274PDCD1
SCHEMBL23078247 0.77 CD274 (0.47) CD274PDCD1MCL1

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-2021043116-A1 BIPHENYL COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国药科大学 2021-03-11 — — WO disclosed
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