SCHEMBL4756141

SCHEMBL4756141

N#C/N=C(/NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(Cc1ccc3ccoc3c1)C2)C(=O)O)N1CC[C@@H](O)C1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.49
▸ ICAM1 P05362 20/20 0.49
▸ ITGAL P20701 20/20 0.49
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL22296795 0.88 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18867804 0.88 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19157571 0.88 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12169787 0.88 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL17991418 0.88 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12169801 0.88 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4756030 0.88 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22296852 0.88 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12054519 0.85 ITGB2 (0.63) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4756041 0.85 ITGB2 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168655-B2 Compositions and methods for treatment of eye disorders SARCODE BIOSCIENCE INC. (US) 2012-05-01 — — US disclosed
US-8168655-B2 Compositions and methods for treatment of eye disorders SARCODE BIOSCIENCE INC. (US) 2012-05-01 — — US disclosed
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