SCHEMBL7541901

SCHEMBL7541901

CN1Cc2cc(NC(=O)OCc3ccccc3)ccc2CC(CC(=O)O)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGAV P06756 1/20 0.51
ITGA2B P08514 1/20 0.51
PSEN1 P49768 4/20 0.49
PSEN2 P49810 4/20 0.49
APH1B Q8WW43 4/20 0.49
NCSTN Q92542 4/20 0.49
APH1A Q96BI3 4/20 0.49
PSENEN Q9NZ42 4/20 0.49
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MGLL Q99685 1/20 0.44
MMP8 P22894 2/20 0.44
MMP3 P08254 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
SCHEMBL6672774 0.84 ITGB3 (0.55) ITGB3ITGAVITGA2BPSEN1PSEN2
SCHEMBL6672778 0.84 ITGB3 (0.55) ITGB3ITGAVITGA2BPSEN1PSEN2
SCHEMBL7545503 0.81 ITGB3 (0.47) ITGB3ITGAVITGA2BROCK2
SCHEMBL7659474 0.80 ITGB3 (0.49) ITGB3ITGAVITGA2BNPC1RAB9A
SCHEMBL6953271 0.79 ITGB3 (0.52) ITGB3ITGAVITGA2BNPC1ALDH1A1
SCHEMBL6953267 0.79 ITGB3 (0.52) ITGB3ITGAVITGA2BNPC1ALDH1A1
SCHEMBL7545780 0.79 ITGB3 (0.59) ITGB3ITGAVITGA2BPSEN1PSEN2
SCHEMBL7539970 0.77 ITGB3 (0.46) ITGB3ITGAVITGA2BMMP8MMP3
SCHEMBL2786598 0.77 ITGB3 (0.52) ITGB3ITGAVITGA2BNPC1ALDH1A1
SCHEMBL2786534 0.77 ITGB3 (0.52) ITGB3ITGAVITGA2BNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0762882-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-11 EP claimed
EP-0762882-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP claimed
WO-1996000574-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO claimed
US-6458784-B1 PHARMACEUTICALLY ACTIVE BENZODIAZAPINE COMPOUNDS OF FORMULA (I) ARE DISCLOSED. THESE COMPOUNDS INHIBIT THE VITRONECTIN RECEPTOR AND ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS. SMITHKLINE BEECHAM CORPORATION 2002-10-01 US disclosed
EP-0762882-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-11 EP disclosed
EP-0762882-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP disclosed
WO-1996000574-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed