SCHEMBL19157705

SCHEMBL19157705

CC(=O)NC(C)c1cccc(C[C@H](NC(O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.70
ICAM1 P05362 20/20 0.70
ITGAL P20701 20/20 0.70
CYP2C9 P11712 1/20 0.61

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
SCHEMBL4756015 0.89 ITGB2 (0.86) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19157975 0.84 ITGB2 (0.68) ITGB2ICAM1ITGALCYP2C9
SCHEMBL16985074 0.83 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4755964 0.83 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12054499 0.83 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18867981 0.81 ITGB2 (0.89) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19158373 0.81 ITGB2 (0.61) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12054513 0.81 ITGB2 (0.83) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18883218 0.80 ITGB2 (0.87) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19157644 0.80 ITGB2 (0.87) 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-3195861-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DRY EYE DISORDERS SARcode Bioscience Inc. (US) 2017-07-26 EP disclosed