SCHEMBL7634336

SCHEMBL7634336

CC(C)OC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccco4)cc3)C(=O)O2)CC1.CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3ccco3)cc2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.39
ITGA2B P08514 10/20 0.39
PRSS1 P07477 9/20 0.35
PRSS2 P07478 9/20 0.35
PRSS3 P35030 9/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
F10 P00742 6/20 0.34
SIGMAR1 Q99720 6/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2 P00734 1/20 0.32

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
SCHEMBL7639774 0.95 ITGB3 (0.41) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7633578 0.94 ITGB3 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6600280 0.93 ITGB3 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7633684 0.92 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7637805 0.91 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7634173 0.91 ITGB3 (0.41) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7633503 0.90 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1
SCHEMBL7641745 0.89 ITGB3 (0.40) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7639857 0.89 ITGB3 (0.40) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7639286 0.88 ITGB3 (0.39) ITGB3ITGA2BPRSS1PRSS2PRSS3

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