SCHEMBL4755845

SCHEMBL4755845

N#C/N=C(/CC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2)C(=O)O)N1CCCC1

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 0.60

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
SCHEMBL16731593 0.92 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL879338 0.88 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22296854 0.88 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19157699 0.88 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4756146 0.88 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9
SCHEMBL23176462 0.88 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868487 0.88 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22296789 0.88 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12169840 0.85 ITGB2 (0.71) ITGB2ICAM1ITGALCYP2C9
SCHEMBL17991452 0.85 ITGB2 (0.71) 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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