SCHEMBL19953685

SCHEMBL19953685

C[C@@H](Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 18/20 0.75
ITGB3 P05106 11/20 0.75
ITGB1 P05556 9/20 0.75
ITGA5 P08648 8/20 0.75
ITGB6 P18564 9/20 0.61
ITGA4 P13612 1/20 0.57
ITGB5 P18084 2/20 0.55
ITGA2B P08514 1/20 0.55
ITGB8 P26012 1/20 0.48

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
SCHEMBL19953686 1.00 ITGAV (0.75) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20024858 0.90 ITGAV (0.92) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20025135 0.90 ITGAV (0.92) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4245277 0.86 ITGAV (0.85) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4241327 0.86 ITGAV (1.00) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL19953591 0.85 ITGAV (0.55) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20024902 0.83 ITGAV (0.80) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21812287 0.83 ITGAV (0.80) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20025167 0.83 ITGAV (0.80) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4245157 0.82 ITGB1 (0.90) ITGAVITGB3ITGB1ITGA5ITGB6

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-3509590-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2019-07-17 EP disclosed
WO-2018049068-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2018-03-15 WO disclosed