SCHEMBL31445679

SCHEMBL31445679

CCC(NC(=O)c1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.57
ICAM1 P05362 1/20 0.57
ITGAL P20701 1/20 0.57
ITGA4 P13612 17/20 0.56
ITGB1 P05556 16/20 0.56
ITGB7 P26010 6/20 0.56
ITGA2 P17301 1/20 0.56
ITGA5 P08648 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
SCHEMBL31445878 0.90 ITGB2 (0.72) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL23489181 0.84 ITGB2 (0.54) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL14532629 0.84 ITGB2 (0.60) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL22983957 0.84 ITGB2 (0.64) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7545114 0.84 ITGB2 (0.57) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL22983958 0.84 ITGB2 (0.64) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7410618 0.83 ITGB2 (0.50) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7544739 0.83 ITGB2 (0.56) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7538961 0.83 ITGB1 (0.73) ITGA4ITGB1ITGB7ITGA2ITGA5
SCHEMBL2789470 0.83 ITGB1 (0.56) ITGA4ITGB1ITGB7

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