SCHEMBL8328325

SCHEMBL8328325

CN1Cc2cc(-c3cccc(-c4nc5ccccc5[nH]4)c3)ccc2N(C(=O)OC(C)(C)C)C(CC(=O)O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.40
ITGAV P06756 11/20 0.40
ITGA2B P08514 3/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DGAT1 O75907 2/20 0.37
KCNH2 Q12809 2/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
ADORA2A P29274 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8330616 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL8328924 0.77 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL8467659 0.76 GABRG2 (0.39) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7366878 0.75 ITGB3 (0.38) ITGB3ITGAVITGA2BHPGD
SCHEMBL7664124 0.74 ITGB3 (0.42) ITGB3ITGAVITGA2BDGAT1KCNH2
SCHEMBL8468002 0.71 DHODH (0.37) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL8323234 0.71 KLK7 (0.36) ITGB3ITGA2B
SCHEMBL8467321 0.70 GABRA1 (0.35) MEN1KMT2A
SCHEMBL7668760 0.68 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL7672674 0.66 ITGB3 (0.57) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed