SCHEMBL7642004

SCHEMBL7642004

CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3ccco3)cc2)C(=O)O1.N=C(NC(=O)c1ccco1)c1ccc(N2CC(CN3CCN(CC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
SIGMAR1 Q99720 3/20 0.37
LMNA P02545 1/20 0.36
PRSS1 P07477 9/20 0.35
PRSS2 P07478 9/20 0.35
PRSS3 P35030 9/20 0.35
F10 P00742 6/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
F2 P00734 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7639419 0.93 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1LMNAPRSS1
SCHEMBL6600232 0.93 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1LMNAPRSS1
SCHEMBL7632243 0.91 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7639801 0.91 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7632958 0.91 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7633684 0.90 ITGB3 (0.38) ITGB3ITGA2BSIGMAR1LMNAPRSS1
SCHEMBL7637805 0.90 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7639942 0.90 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7642058 0.89 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1
SCHEMBL7638997 0.89 ITGB3 (0.49) 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