SCHEMBL23978784

SCHEMBL23978784

NC(=O)NC[C@H](NC(=O)c1c(Cl)cc(C(=O)N2Cc3ccccc3C2)cc1Cl)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 13/20 0.44
ICAM1 P05362 13/20 0.44
ITGAL P20701 13/20 0.44
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
ITGA4 P13612 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.38

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
SCHEMBL23978731 0.94 MAPT (0.51) ITGB2ICAM1ITGALMAPTTDP1
SCHEMBL23978786 0.88 ITGB2 (0.54) ITGB2ICAM1ITGALITGA4
SCHEMBL23979136 0.87 ITGA4 (0.38) ITGB2ICAM1ITGALTDP1ITGA4
SCHEMBL30083840 0.84 EPHX2 (0.43) ITGB2ICAM1ITGALMAPTTDP1
SCHEMBL24803486 0.84 EPHX2 (0.43) ITGB2ICAM1ITGALMAPTTDP1
SCHEMBL24805463 0.84 EPHX2 (0.43) ITGB2ICAM1ITGALMAPTTDP1
SCHEMBL23979004 0.80 MAPT (0.48) ITGB2ICAM1ITGALMAPTTDP1
SCHEMBL30083856 0.80 MAPT (0.48) ITGB2ICAM1ITGALMAPTTDP1
SCHEMBL23978696 0.79 TACR1 (0.46) MAPTKMT2A
SCHEMBL23979116 0.78 ITGA4 (0.39) ITGALMAPTTDP1ITGA4

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