SCHEMBL7378803

SCHEMBL7378803

N=C(N)Nc1cccc(C(=O)Nc2ccc(-c3ccccc3CCC(=O)O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.50
ITGA2B P08514 5/20 0.50
ITGAV P06756 3/20 0.48
ITGB1 P05556 1/20 0.47
ITGB5 P18084 1/20 0.47
PTGER1 P34995 2/20 0.47
PTGER4 P35408 2/20 0.47
PTGER3 P43115 2/20 0.47
PTGER2 P43116 2/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
F10 P00742 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
PARP1 P09874 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL7373852 0.88 ITGB3 (0.50) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7378811 0.86 PTGER4 (0.48) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7380122 0.85 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7379531 0.84 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7373419 0.83 ITGB3 (0.66) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7378623 0.82 SMN1; SMN2 (0.58) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7376558 0.82 ITGB3 (0.70) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7372597 0.81 KCNK3 (0.50) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7377637 0.81 MAPT (0.55) ITGB3ITGA2BSMN1; SMN2LMNAMAPT
SCHEMBL7861970 0.80 ITGB3 (0.76) ITGB3ITGA2BITGAVITGB1ITGB5

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