SCHEMBL31445010

SCHEMBL31445010

CCC(CC)OC(=O)N[C@@H](CCN(CCCCc1ccc2c(n1)NCCC2)CCOC)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.56
ITGB6 P18564 19/20 0.56
ITGA5 P08648 13/20 0.56
ITGB3 P05106 1/20 0.49

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
SCHEMBL31446176 0.94 ITGAV (0.62) ITGAVITGB6ITGA5ITGB3
SCHEMBL31446198 0.94 ITGAV (0.62) ITGAVITGB6ITGA5ITGB3
SCHEMBL21348065 0.89 ITGAV (0.65) ITGAVITGB6ITGA5ITGB3
SCHEMBL29163647 0.89 ITGAV (0.65) ITGAVITGB6ITGA5ITGB3
SCHEMBL31445530 0.89 ITGAV (0.65) ITGAVITGB6ITGA5ITGB3
SCHEMBL31444799 0.88 ITGAV (0.58) ITGAVITGB6ITGA5ITGB3
SCHEMBL31446572 0.87 ITGAV (0.57) ITGAVITGB6ITGA5ITGB3
SCHEMBL31446222 0.87 ITGAV (0.65) ITGAVITGB6ITGA5ITGB3
SCHEMBL31445634 0.87 ITGAV (0.65) ITGAVITGB6ITGA5ITGB3
SCHEMBL31445755 0.87 ITGAV (0.65) ITGAVITGB6ITGA5ITGB3

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
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed