SCHEMBL23979070

SCHEMBL23979070

CC(C)(C)OC(=O)N1CCc2c(cc(Cl)c(C(=O)N[C@@H](CNC(N)=O)C(=O)OCc3ccccc3)c2Cl)C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 18/20 0.51
ICAM1 P05362 18/20 0.51
ITGAL P20701 18/20 0.51
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL30337008 0.86 ITGB2 (0.46) ITGB2ICAM1ITGALMEN1MAPT
SCHEMBL26477712 0.86 ITGB2 (0.46) ITGB2ICAM1ITGALMEN1MAPT
SCHEMBL30279335 0.86 ITGB2 (0.46) ITGB2ICAM1ITGALMEN1MAPT
SCHEMBL26500698 0.86 ITGB2 (0.46) ITGB2ICAM1ITGALMEN1MAPT
SCHEMBL4546545 0.84 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL31021036 0.84 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL10156457 0.79 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL23978762 0.79 ITGB2 (0.42) ITGB2ICAM1ITGAL
SCHEMBL23978731 0.78 MAPT (0.51) ITGB2ICAM1ITGALMAPTKMT2A
SCHEMBL30279411 0.77 ITGB2 (0.54) ITGB2ICAM1ITGAL

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