SCHEMBL23978982

SCHEMBL23978982

CC(C)c1cccc(Nc2ccc(Cl)c(C(=O)N[C@@H](CNC(N)=O)C(=O)O)c2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 3/20 0.39
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGB1 P05556 12/20 0.39
ITGA5 P08648 6/20 0.39
ITGA4 P13612 8/20 0.39
ITGAV P06756 2/20 0.36
ITGA2 P17301 1/20 0.36
ITGB7 P26010 1/20 0.36
SYK P43405 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGER3 P43115 1/20 0.35
S1PR1 P21453 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGB8 P26012 1/20 0.35

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
SCHEMBL23979049 0.91 P2RX3 (0.36) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL30279393 0.81 ALDH1A1 (0.42) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL26104284 0.81 ALDH1A1 (0.42) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL23979045 0.81 ALDH1A1 (0.42) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL23978619 0.81 ALDH1A1 (0.42) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL30337539 0.78 MEN1 (0.41) PTGER3
SCHEMBL23979021 0.78 MEN1 (0.41) PTGER3
SCHEMBL23978790 0.77 LMNA (0.41) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL21376654 0.76 ITGB2 (0.59) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL23979022 0.74 MAPT (0.41) PTGER3

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-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed