SCHEMBL18868524

SCHEMBL18868524

N[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3s1)C2)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 18/20 0.53
▸ ICAM1 P05362 18/20 0.53
▸ ITGAL P20701 18/20 0.53
▸ HDAC6 Q9UBN7 2/20 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
SCHEMBL15503295 0.89 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL18362378 0.88 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL18868119 0.85 HDAC6 (0.50) ITGB2ICAM1ITGALHDAC6
SCHEMBL18868101 0.83 ITGB2 (0.57) ITGB2ICAM1ITGALHDAC6
SCHEMBL18867795 0.82 ITGB2 (0.69) ITGB2ICAM1ITGALHDAC6
SCHEMBL13894226 0.81 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL12062979 0.80 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL23992528 0.79 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL13894289 0.79 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL23153600 0.79 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-3167886-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
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