SCHEMBL18868568

SCHEMBL18868568

CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(N)cc3c(c2Cl)CCN(C(=O)/C=C/c2c(F)cccc2F)C3)C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.62
ICAM1 P05362 20/20 0.62
ITGAL P20701 20/20 0.62
CYP2C9 P11712 1/20 0.57

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
SCHEMBL19158042 0.93 ITGB2 (0.72) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4755960 0.93 ITGB2 (0.72) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19157973 0.89 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19158567 0.87 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4755846 0.87 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18881175 0.86 ITGB2 (0.62) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868065 0.85 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13813678 0.85 ITGB2 (0.73) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22296818 0.85 ITGB2 (0.59) ITGB2ICAM1ITGALCYP2C9
SCHEMBL16351765 0.84 ITGB2 (0.54) ITGB2ICAM1ITGALCYP2C9

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
EP-3167886-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 EP disclosed