SCHEMBL7501753

SCHEMBL7501753

NN=CNc1cccc(C(=O)Nc2ccc(C=CC(=O)O)cc2C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.67
ITGAV P06756 15/20 0.67
ITGA2B P08514 15/20 0.67
ITGB1 P05556 7/20 0.50
ITGB5 P18084 7/20 0.50
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
APP P05067 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL7500563 0.87 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7498586 0.86 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502143 0.85 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500879 0.85 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7504217 0.83 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7496711 0.83 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7506889 0.82 ITGB3 (0.64) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7497019 0.82 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7501202 0.77 PKM (0.44) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500458 0.77 SENP1 (0.55) PKM

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 2 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-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP disclosed