SCHEMBL7375387

SCHEMBL7375387

NN=CNc1cccc(C(=O)CNC(Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 2/20 0.42
AKR1C3 P42330 1/20 0.40
MMP9 P14780 1/20 0.39
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
MEP1B Q16820 2/20 0.39
ACE P12821 2/20 0.39
MME P08473 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGB5 P18084 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38

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
SCHEMBL7376324 0.82 GPR132 (0.49) GPR132MMP9CA2CA1ACE
SCHEMBL7376317 0.82 GPR132 (0.49) GPR132MMP9CA2CA1ACE
SCHEMBL6775970 0.82 GPR132 (0.49) GPR132CA2CA1ACEITGB3
SCHEMBL7468481 0.79 SIGMAR1 (0.51) MMP9ACEMMENAALAD2
SCHEMBL17944509 0.79 SIGMAR1 (0.51) MMP9ACEMMENAALAD2
SCHEMBL7373859 0.78 GPR132 (0.53) GPR132CA2CA1ACEMME
SCHEMBL6779399 0.78 GPR132 (0.47) GPR132
SCHEMBL7823171 0.77 ITGB3 (0.50) GPR132ACEMMEITGB3ITGB1
SCHEMBL7377643 0.77 F10 (0.46) GPR132ITGB3ITGA2B
SCHEMBL8430799 0.77 SIRT2 (0.41) GPR132

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-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed