SCHEMBL7398115

SCHEMBL7398115

NN=C(C(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccc3c(c2)NC(CC(=O)O)CCC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.56
ITGA2B P08514 10/20 0.56
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MMP2 P08253 1/20 0.37

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
SCHEMBL7398111 0.83 ITGB3 (0.59) ITGB3ITGA2BKDM1ARCOR1NPC1
SCHEMBL7593932 0.82 ITGB3 (0.52) ITGB3ITGA2BKDM1ARCOR1NPC1
SCHEMBL7593928 0.82 ITGB3 (0.52) ITGB3ITGA2BKDM1ARCOR1NPC1
SCHEMBL7397433 0.82 ITGB3 (0.53) ITGB3ITGA2BKDM1ARCOR1NPC1
SCHEMBL7397435 0.82 ITGB3 (0.53) ITGB3ITGA2BKDM1ARCOR1NPC1
SCHEMBL7393434 0.79 ITGB3 (0.65) ITGB3ITGA2BNPC1TP53GAA
SCHEMBL7393420 0.78 ITGB3 (0.89) ITGB3ITGA2B
SCHEMBL7393424 0.78 ITGB3 (0.89) ITGB3ITGA2B
SCHEMBL7440715 0.73 ITGB3 (0.73) ITGB3ITGA2BNPC1TP53GAA
SCHEMBL8233920 0.73 ITGB3 (1.00) ITGB3ITGA2B

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
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed