SCHEMBL31445878

SCHEMBL31445878

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

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 5/20 0.72
ICAM1 P05362 5/20 0.72
ITGAL P20701 5/20 0.72
ITGB1 P05556 8/20 0.60
ITGA4 P13612 7/20 0.60
GAA P10253 5/20 0.50
ITGAV P06756 2/20 0.50
ITGA5 P08648 2/20 0.50
ITGB3 P05106 1/20 0.50
POLB P06746 1/20 0.49
ITGB8 P26012 1/20 0.48
ITGA2 P17301 1/20 0.48
ITGB7 P26010 1/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL31445679 0.90 ITGB2 (0.57) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL31445626 0.90 ITGB2 (0.68) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL14532631 0.86 ITGB2 (0.76) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL31447160 0.84 ITGA4 (0.58) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL31444766 0.81 ITGA4 (0.60) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL31446197 0.81 ITGB2 (0.54) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL3877117 0.81 ITGB2 (0.65) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL31446653 0.81 TAS1R3 (0.52) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL19523034 0.80 ITGB2 (0.53) ITGB2ICAM1ITGALGAAPOLB
SCHEMBL5022118 0.79 HPGD (0.59) ITGB2ICAM1ITGALGAAPOLB

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