SCHEMBL19157700

SCHEMBL19157700

C[S+]([O-])c1ccc(CC(NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2cc4cc(F)ccc4[nH]2)C3)C(=O)O)o1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 19/20 0.55
▸ ICAM1 P05362 19/20 0.55
▸ ITGAL P20701 19/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL12054479 0.89 ITGB2 (0.71) ITGB2ICAM1ITGALHDAC6
SCHEMBL18362345 0.77 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL4755985 0.75 ITGB2 (0.71) ITGB2ICAM1ITGAL
SCHEMBL16351766 0.74 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL13658241 0.73 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL19158033 0.73 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL18868532 0.72 ITGB2 (0.75) ITGB2ICAM1ITGAL
SCHEMBL10129729 0.72 ITGB2 (0.74) ITGB2ICAM1ITGALHDAC6
SCHEMBL4755977 0.71 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL13822008 0.71 ITGB2 (0.61) 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
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