SCHEMBL7152147

SCHEMBL7152147

CC(C)(C)OC(=O)N=C(NCCC(=O)N1CCC2(CC1)CCN(C(=O)CCC(NS(=O)(=O)c1ccccc1)C(=O)O)CC2)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.49
ITGA2B P08514 8/20 0.49
MMP9 P14780 10/20 0.41
MMP2 P08253 9/20 0.41
MMP8 P22894 4/20 0.40
MMP12 P39900 3/20 0.40
MMP14 P50281 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
MMP13 P45452 1/20 0.39
ADAMTS4 O75173 1/20 0.39

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
SCHEMBL7152136 1.00 ITGB3 (0.49) ITGB3ITGA2BMMP9MMP2MMP8
SCHEMBL6778113 0.95 ITGB3 (0.43) ITGB3ITGA2BMMP9MMP2MMP8
SCHEMBL6778116 0.95 ITGB3 (0.43) ITGB3ITGA2BMMP9MMP2MMP8
SCHEMBL6622073 0.90 ITGB3 (0.42) ITGB3ITGA2BMMP9MMP2MMP8
SCHEMBL6622077 0.90 ITGB3 (0.42) ITGB3ITGA2BMMP9MMP2MMP8
SCHEMBL6622583 0.79 ITGB3 (0.49) ITGB3ITGA2BMMP9MMP2MMP14
SCHEMBL6622584 0.79 ITGB3 (0.49) ITGB3ITGA2BMMP9MMP2MMP14
SCHEMBL7147856 0.78 MMP2 (0.58) ITGB3ITGA2BMMP9MMP2MMP8
Hydrochloric Acid SCHEMBL6622243 0.77 ITGB3 (0.55) ITGB3ITGA2BMMP9MMP2MMP8
SCHEMBL6620316 0.77 ITGB3 (0.51) ITGB3ITGA2BMMP9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6528534-B2 Useful as glycoprotein IIb/IIIa antagonists for prophylaxis thrombosis, therapy of atheroschlerosis, arterioschlerosis, acute myocardial infarction, chronic stable angina, unstable angina, transient ischemic attacks and strokes MILLENNIUM PHARMACEUTICALS, INC. 2003-03-04 US disclosed