SCHEMBL7500205

SCHEMBL7500205

CCOC(=O)/C=C/c1cccc(CNC(=O)c2cccc(NC3=NCCN3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.58
ITGAV P06756 13/20 0.58
ITGA2B P08514 12/20 0.58
ITGB1 P05556 6/20 0.57
ITGB5 P18084 6/20 0.57
WDR5 P61964 4/20 0.50
ITGA5 P08648 1/20 0.43
ITGB6 P18564 1/20 0.43
ITGB8 P26012 1/20 0.43
ITGA8 P53708 1/20 0.43
PTGIR P43119 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL7500209 1.00 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500332 0.95 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500334 0.95 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7496776 0.89 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7496771 0.89 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7497420 0.88 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7497424 0.88 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499847 0.84 SENP1 (0.46) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7499852 0.84 SENP1 (0.46) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7499351 0.84 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP claimed
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP claimed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP disclosed
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed