SCHEMBL19158139

SCHEMBL19158139

CSc1ccc(CC(NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4cn[nH]c4c2)C3)C(=O)O)o1

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 0.53

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
SCHEMBL19158137 1.00 ITGB2 (0.62) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4756012 0.90 ITGB2 (0.78) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13821853 0.86 ITGB2 (0.63) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12719224 0.84 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL20683218 0.83 ITGB2 (0.68) ITGB2ICAM1ITGALCYP2C9
SCHEMBL879401 0.83 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL13658250 0.82 ITGB2 (0.77) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18867834 0.82 ITGB2 (0.77) ITGB2ICAM1ITGALCYP2C9
SCHEMBL879396 0.82 ITGB2 (0.77) ITGB2ICAM1ITGALCYP2C9
SCHEMBL21004187 0.82 ITGB2 (0.56) ITGB2ICAM1ITGAL

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-3195861-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DRY EYE DISORDERS SARcode Bioscience Inc. (US) 2017-07-26 — — EP disclosed
Send feedback