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Sugi Predict / Compounds / SCHEMBL7311516

SCHEMBL7311516

SCHEMBL7311516

CC(C)(C)OC(=O)NCCC[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 14/20 0.46
▸ ITGA2B P08514 14/20 0.46
▸ PREP P48147 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ MAPT P10636 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42

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
SCHEMBL7285021 0.95 SIGMAR1 (0.44) ITGB3ITGA2BPREPSIGMAR1
SCHEMBL8619569 0.95 SIGMAR1 (0.44) ITGB3ITGA2BPREPSIGMAR1
SCHEMBL7286648 0.95 ITGB3 (0.43) ITGB3ITGA2BPREPSIGMAR1MAPT
SCHEMBL7286805 0.94 PREP (0.43) ITGB3ITGA2BPREPSIGMAR1MAPT
SCHEMBL7296887 0.94 PREP (0.43) ITGB3ITGA2BPREPSIGMAR1MAPT
SCHEMBL7284719 0.94 ITGB3 (0.43) ITGB3ITGA2BPREPSIGMAR1MAPT
SCHEMBL8553717 0.93 ITGB3 (0.51) ITGB3ITGA2BPREP
SCHEMBL7295402 0.92 MAPT (0.42) ITGB3ITGA2BPREPSIGMAR1MAPT
SCHEMBL7364263 0.90 ITGB3 (0.49) ITGB3ITGA2BPREPSIGMAR1
SCHEMBL8221099 0.90 ITGB3 (0.48) ITGB3ITGA2B

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
EP-0950658-A1 2-Pipirazinone-1-acetic acid dihydrochloride derivative used to inhibit platelet aggregation Takeda Chemical Industries, Ltd. (JP) 1999-10-20 — — EP disclosed