SCHEMBL31444799

SCHEMBL31444799

COCCN(CCCCc1ccc2c(n1)NCCC2)CC[C@H](NC(=O)OCC(C)(C)C)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.58
ITGB6 P18564 19/20 0.58
ITGA5 P08648 16/20 0.58
ITGB3 P05106 1/20 0.51

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
SCHEMBL31446094 0.95 ITGAV (0.63) ITGAVITGB6ITGA5ITGB3
SCHEMBL31446175 0.95 ITGAV (0.63) ITGAVITGB6ITGA5ITGB3
SCHEMBL29163647 0.92 ITGAV (0.65) ITGAVITGB6ITGA5ITGB3
SCHEMBL21348065 0.92 ITGAV (0.65) ITGAVITGB6ITGA5ITGB3
SCHEMBL31445530 0.92 ITGAV (0.65) ITGAVITGB6ITGA5ITGB3
SCHEMBL31446572 0.91 ITGAV (0.57) ITGAVITGB6ITGA5ITGB3
SCHEMBL31445010 0.88 ITGAV (0.56) ITGAVITGB6ITGA5ITGB3
SCHEMBL31445939 0.88 ITGAV (0.65) ITGAVITGB6ITGA5ITGB3
SCHEMBL31445859 0.87 ITGAV (0.59) ITGAVITGB6ITGA5ITGB3
SCHEMBL31445923 0.86 ITGAV (0.61) 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