SCHEMBL19158032

SCHEMBL19158032

Cc1ccc(C(=O)N2CCc3c(cc(C)c(C(=O)N[C@@H](Cc4cccc(C(C)C)c4)C(=O)O)c3C)C2)cc1

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 0.50

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
SCHEMBL4755968 0.82 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL17991448 0.73 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20617445 0.72 ITGB2 (0.89) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4756031 0.72 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12054499 0.72 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL16985074 0.72 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4755964 0.72 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL15726688 0.71 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9
SCHEMBL10156350 0.71 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL18867981 0.71 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-3195861-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DRY EYE DISORDERS SARcode Bioscience Inc. (US) 2017-07-26 — — EP disclosed
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