SCHEMBL13668306

SCHEMBL13668306

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 18/20 0.44
▸ ICAM1 P05362 18/20 0.44
▸ ITGAL P20701 18/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL13668402 0.74 ITGB2 (0.40) ITGB2ICAM1ITGAL
SCHEMBL20618448 0.65 HDAC6 (0.40) ITGB2ICAM1ITGALHDAC6
SCHEMBL27044200 0.65 ITGB2 (0.59) ITGB2ICAM1ITGAL
SCHEMBL13894214 0.65 ITGB2 (0.50) ITGB2ICAM1ITGAL
SCHEMBL4546546 0.65 DRD2 (0.46) ITGB2ICAM1ITGALHDAC6
SCHEMBL15445335 0.64 HDAC6 (0.46) ITGB2ICAM1ITGALHDAC6
SCHEMBL20618454 0.64 HDAC6 (0.39) ITGB2ICAM1ITGALHDAC6
SCHEMBL23978647 0.64 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL26875017 0.64 DRD2 (0.45) ITGB2ICAM1ITGALHDAC6
SCHEMBL10129831 0.64 ITGB2 (0.81) 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
WO-2009128933-A1 AEROSOLIZED LFA-1 ANTAGONISTS FOR USE IN LOCALIZED TREATMENT OF IMMUNE RELATED DISORDERS SARCODE CORPORATION (US) 2009-10-22 — — WO disclosed
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