SCHEMBL630186

SCHEMBL630186

O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.56
ITGA5 P08648 3/20 0.56
ITGA4 P13612 7/20 0.54
POLB P06746 1/20 0.54
ITGB7 P26010 3/20 0.51
KCNQ1 P51787 1/20 0.49
ITGAV P06756 4/20 0.48
BDKRB1 P46663 3/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
ITGA2 P17301 1/20 0.45

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
SCHEMBL630187 1.00 ITGB1 (0.56) ITGB1ITGA5ITGA4POLBITGB7
SCHEMBL5172120 0.92 ITGB1 (0.55) ITGB1ITGA5ITGA4POLBITGB7
SCHEMBL5172768 0.91 POLB (0.53) ITGB1ITGA5ITGA4POLBITGB7
SCHEMBL630087 0.91 POLB (0.56) ITGB1ITGA5ITGA4POLBITGB7
SCHEMBL630086 0.91 POLB (0.56) ITGB1ITGA5ITGA4POLBITGB7
SCHEMBL2977265 0.91 POLB (0.53) ITGB1ITGA5ITGA4POLBITGB7
SCHEMBL2977267 0.91 POLB (0.53) ITGB1ITGA5ITGA4POLBITGB7
SCHEMBL6367902 0.91 ITGB1 (0.59) ITGB1ITGA5ITGA4POLBITGB7
SCHEMBL13206952 0.90 POLB (0.49) ITGB1ITGA5ITGA4POLBITGB7
SCHEMBL629838 0.90 KCNQ1 (0.62) ITGB1ITGA5ITGA4POLBITGB7

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-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP disclosed