SCHEMBL7403184

SCHEMBL7403184

CCOC(=O)[C@@]1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(CC)OC(C)C)CO1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.49
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
PSMB5 P28074 14/20 0.45
PSMB2 P49721 5/20 0.44
PSMB1 P20618 5/20 0.44
MMP1 P03956 1/20 0.43
PSMB10 P40306 1/20 0.41
PSMB8 P28062 7/20 0.41
PSMB9 P28065 3/20 0.41
MMP8 P22894 1/20 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
SCHEMBL7405239 0.90 ITGB1 (0.50) ITGB1ITGA4ITGB7PSMB5PSMB2
SCHEMBL7406177 0.90 ITGB1 (0.48) ITGB1ITGA4ITGB7PSMB5PSMB2
SCHEMBL7407620 0.86 ITGB1 (0.45) ITGB1ITGA4ITGB7PSMB5PSMB2
SCHEMBL7202935 0.85 MMP1 (0.53) ITGB1ITGA4ITGB7MMP1MMP8
SCHEMBL7406798 0.83 ITGB1 (0.43) ITGB1ITGA4ITGB7PSMB5PSMB2
SCHEMBL7405493 0.83 ITGB1 (0.47) ITGB1ITGA4ITGB7PSMB5PSMB2
SCHEMBL7406067 0.83 ITGB1 (0.61) ITGB1ITGA4ITGB7MMP8
SCHEMBL7408114 0.83 ITGB1 (0.47) ITGB1ITGA4ITGB7PSMB5PSMB2
SCHEMBL7763984 0.83 MMP1 (0.55) ITGB1ITGA4ITGB7MMP1
SCHEMBL7765671 0.83 MMP1 (0.56) ITGB1ITGA4ITGB7MMP1MMP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763029-A1 EPOXYSUCCINIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-03-19 EP disclosed
WO-1995032954-A1 EPOXYSUCCINIC ACID DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-07 WO disclosed