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Sugi Predict / Compounds / SCHEMBL7102699

SCHEMBL7102699

SCHEMBL7102699

COC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cc(C(C)(C)C)cc2Cl)cc1)NC(=O)[C@H]1CC[C@@](C)(C(=O)OC(C)(C)C)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 20/20 0.40
▸ ITGA4 P13612 20/20 0.40

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
SCHEMBL7102695 1.00 ITGB1 (0.40) ITGB1ITGA4
SCHEMBL7105442 0.94 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7105443 0.94 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7247043 0.92 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7247044 0.92 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7098743 0.92 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7098745 0.92 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7098016 0.86 TAS1R3 (0.39) ITGB1ITGA4
SCHEMBL7098020 0.86 TAS1R3 (0.39) ITGB1ITGA4
SCHEMBL7099510 0.85 ITGB1 (0.47) ITGB1ITGA4

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-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 — — EP disclosed