SCHEMBL29407842

SCHEMBL29407842

CC(C)C(=O)OCCOC(=O)[C@H](Cc1cccc(S(C)(=O)=O)c1)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.83
▸ ICAM1 P05362 20/20 0.83
▸ ITGAL P20701 20/20 0.83
▸ CYP2C9 P11712 1/20 0.83

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
SCHEMBL30731319 0.94 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL24359931 0.94 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL29407865 0.93 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
SCHEMBL29569512 0.93 ITGB2 (0.83) ITGB2ICAM1ITGALCYP2C9
SCHEMBL24359929 0.93 ITGB2 (0.83) ITGB2ICAM1ITGALCYP2C9
SCHEMBL29407838 0.93 ITGB2 (0.83) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22817921 0.93 ITGB2 (0.83) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22566310 0.93 ITGB2 (0.83) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20833713 0.93 ITGB2 (0.87) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20833718 0.93 ITGB2 (0.89) 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-3955926-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2022-02-23 — — EP disclosed
Send feedback