SCHEMBL20833729

SCHEMBL20833729

CC(C)(C)OC(=O)N1CCc2c(cc(Cl)c(C(O)N[C@@H](Cc3cccc(S(C)(=O)=O)c3)C(=O)OCc3ccccc3)c2Cl)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 13/20 0.51
ICAM1 P05362 13/20 0.51
ITGAL P20701 13/20 0.51
CYP2C9 P11712 1/20 0.47
P2RX7 Q99572 6/20 0.40

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
SCHEMBL31021036 0.88 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4546545 0.88 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL14679347 0.83 ITGB2 (0.55) ITGB2ICAM1ITGALCYP2C9P2RX7
SCHEMBL20833721 0.82 ITGB2 (0.61) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22685859 0.81 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22685858 0.81 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL29547925 0.80 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20911446 0.80 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9
SCHEMBL29402100 0.79 ITGB2 (0.52) ITGB2ICAM1ITGALCYP2C9P2RX7
SCHEMBL28730947 0.79 ITGB2 (0.52) ITGB2ICAM1ITGALCYP2C9P2RX7

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-2019053607-A1 PROCESS FOR PREPARATION OF LIFITEGRAST GLENMARK PHARMACEUTICALS LIMITED (IN) 2019-03-21 WO disclosed