SCHEMBL7635998

SCHEMBL7635998

CCOC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)Oc4ccccc4)cc3)C(=O)O2)CC1=O.CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)Oc3ccccc3)cc2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.42
ITGA2B P08514 7/20 0.42
SIGMAR1 Q99720 3/20 0.36
PRSS1 P07477 6/20 0.36
PRSS2 P07478 6/20 0.36
PRSS3 P35030 6/20 0.36
GRM2 Q14416 8/20 0.35
F10 P00742 4/20 0.35

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
SCHEMBL7642366 0.93 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7313896 0.93 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7634906 0.92 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7642259 0.91 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7639270 0.91 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7633214 0.89 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7634323 0.89 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7639235 0.88 ITGB3 (0.40) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7640483 0.87 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7634281 0.87 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1PRSS1PRSS2

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-6455529-B1 OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-09-24 US disclosed