SCHEMBL9856770

SCHEMBL9856770

CCCSc1ncc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)n1Cc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 14/20 0.44
▸ ITGB1 P05556 12/20 0.44
▸ ITGB7 P26010 11/20 0.44
▸ TP53 P04637 1/20 0.40
▸ PYGL P06737 1/20 0.39

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
SCHEMBL9474084 0.95 MEN1 (0.42) ITGA4ITGB1ITGB7
SCHEMBL9473162 0.95 MEN1 (0.42) ITGA4ITGB1ITGB7
SCHEMBL9473700 0.93 CDK2 (0.42) TP53
SCHEMBL9473565 0.89 SCN3A (0.41) ITGA4ITGB1ITGB7
SCHEMBL9857009 0.88 SCN3A (0.41) ITGA4ITGB1
SCHEMBL9857334 0.88 SCN3A (0.41) ITGA4ITGB1
SCHEMBL9473272 0.86 MAPT (0.45) ITGA4ITGB1ITGB7TP53
SCHEMBL9473551 0.85 ITGB2 (0.49) —
SCHEMBL9473540 0.85 TP53 (0.35) ITGA4ITGB1ITGB7TP53
SCHEMBL9474710 0.84 TP53 (0.40) TP53

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
EP-0437103-A2 Substituted 5-(alkyl)carboxamide imidazoles SMITHKLINE BEECHAM CORPORATION (US) 1991-07-17 — — EP disclosed
Send feedback