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Sugi Predict / Compounds / SCHEMBL7639664

SCHEMBL7639664

SCHEMBL7639664

CC(C)OC(=O)CN1CCN(CC2CN(c3ccc(C(=N)NC(=O)Oc4ccccc4)cc3)C(=O)O2)CC1.CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)Oc3ccccc3)cc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ SIGMAR1 Q99720 9/20 0.40
▸ GRM2 Q14416 8/20 0.38
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL7637118 0.94 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7633507 0.93 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1GRM2SMN1; SMN2
SCHEMBL6601254 0.93 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1GRM2SMN1; SMN2
SCHEMBL7633208 0.92 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1GRM2SMN1; SMN2
SCHEMBL7639772 0.92 ITGB3 (0.55) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7640069 0.91 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1GRM2SMN1; SMN2
SCHEMBL7638241 0.91 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1GRM2SMN1; SMN2
SCHEMBL7640371 0.90 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7642058 0.90 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7640427 0.89 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1GRM2

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