SCHEMBL631364

SCHEMBL631364

O=C(N[C@@H](Cc1ccc(OCCCF)cc1)C(=O)O)C1CCCCN1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.57
ITGA5 P08648 4/20 0.57
ITGA4 P13612 6/20 0.54
ITGB7 P26010 3/20 0.54
ITGAV P06756 5/20 0.51
KCNQ1 P51787 1/20 0.48
LMNA P02545 1/20 0.46
GPR34 Q9UPC5 2/20 0.45
FKBP1A P62942 2/20 0.45
FKBP4 Q02790 1/20 0.44
FKBP5 Q13451 1/20 0.44

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
SCHEMBL631365 1.00 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL629713 1.00 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL629712 1.00 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL630558 0.92 ITGB1 (0.53) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL630557 0.92 ITGB1 (0.53) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL630332 0.91 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL630333 0.91 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL5173099 0.91 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL629802 0.89 KCNQ1 (0.48) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL8268315 0.89 KCNQ1 (0.48) ITGB1ITGA5ITGA4ITGB7ITGAV

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 3 patents. 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
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO disclosed