SCHEMBL18868532

SCHEMBL18868532

Cc1oc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)cc1[S+](C)[O-]

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.75
ICAM1 P05362 20/20 0.75
ITGAL P20701 20/20 0.75
CYP2C9 P11712 1/20 0.66

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
SCHEMBL19157549 0.88 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12169784 0.88 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13821998 0.86 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20618445 0.86 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
SCHEMBL879369 0.86 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13813644 0.85 ITGB2 (0.78) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12704679 0.85 ITGB2 (0.85) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18362345 0.85 ITGB2 (0.70) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19157816 0.84 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18867976 0.84 ITGB2 (0.67) 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