SCHEMBL7410034

SCHEMBL7410034

N=C(N)Nc1cccc(C(=O)NOC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GFER P55789 1/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44
F10 P00742 3/20 0.43
PLG P00747 2/20 0.43
PLAU P00749 2/20 0.43
F2 P00734 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
FPR2 P25090 1/20 0.41
CAPN1 P07384 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ATM Q13315 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
SCHEMBL7380577 0.86 CTSL (0.54) GAAF10F2CA12CA1
SCHEMBL7516114 0.85 ITGB3 (0.51) POLBGAAF10PLGPLAU
SCHEMBL7516103 0.85 ITGB3 (0.51) POLBGAAF10PLGPLAU
SCHEMBL7375597 0.83 CA12 (0.48) POLBF10F2FPR2CA12
SCHEMBL7409607 0.81 ITGB3 (0.47) POLBGAACA12CA1CA2
SCHEMBL7466494 0.81 ITGB3 (0.54) POLBF10F2CA12CA1
SCHEMBL7375475 0.81 CA12 (0.43) POLBCYP3A4CYP2C9CYP2C19F10
SCHEMBL7410384 0.80 ITGB3 (0.54) KDM4ECA12CA1CA2CA9
SCHEMBL7382271 0.80 ITGB3 (0.48) POLBF10F2CA12CA1
SCHEMBL7376066 0.79 ITGB3 (0.50) POLBF10PLGPLAUF2

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