SCHEMBL7405239

SCHEMBL7405239

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.50
ITGA4 P13612 1/20 0.50
ITGB7 P26010 1/20 0.50
MMP1 P03956 5/20 0.42
PSMB8 P28062 7/20 0.42
PSMB5 P28074 5/20 0.42
PSMB1 P20618 2/20 0.42
PSMB9 P28065 1/20 0.42
MMP8 P22894 1/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PSMB2 P49721 1/20 0.41

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
SCHEMBL7406798 0.93 ITGB1 (0.43) ITGB1ITGA4ITGB7MMP1PSMB8
SCHEMBL7406177 0.92 ITGB1 (0.48) ITGB1ITGA4ITGB7MMP1PSMB8
SCHEMBL7408114 0.91 ITGB1 (0.47) ITGB1ITGA4ITGB7MMP1PSMB8
SCHEMBL7403184 0.90 ITGB1 (0.49) ITGB1ITGA4ITGB7MMP1PSMB8
SCHEMBL7408941 0.90 MMP1 (0.45) ITGB1ITGA4ITGB7MMP1PSMB8
SCHEMBL7404418 0.88 ITGB1 (0.40) ITGB1ITGA4ITGB7MMP1PSMB8
SCHEMBL7407620 0.88 ITGB1 (0.45) ITGB1ITGA4ITGB7MMP1PSMB8
SCHEMBL7202935 0.86 MMP1 (0.53) ITGB1ITGA4ITGB7MMP1MMP8
SCHEMBL7405493 0.85 ITGB1 (0.47) ITGB1ITGA4ITGB7MMP1PSMB8
SCHEMBL7406067 0.85 ITGB1 (0.61) ITGB1ITGA4ITGB7MMP8ATM

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