SCHEMBL630717

SCHEMBL630717

COCCCOc1ccc(C[C@H](NC(=O)O[C@H]2CCCCN2S(=O)(=O)c2cccc(F)c2)C(=O)N[C@@H](C)COC)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.42
FKBP1A P62942 6/20 0.40
FKBP5 Q13451 2/20 0.40
FKBP4 Q02790 1/20 0.40
YAP1 P46937 1/20 0.36
ITGA4 P13612 3/20 0.36
ITGB7 P26010 3/20 0.36
MMP1 P03956 3/20 0.36
ADAM17 P78536 2/20 0.36
ELOVL6 Q9H5J4 1/20 0.36
ACACB O00763 2/20 0.36
ITGB1 P05556 2/20 0.36
LMNA P02545 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL631137 0.92 KCNQ1 (0.41) KCNQ1FKBP1AFKBP5FKBP4ITGA4
SCHEMBL629871 0.90 KCNQ1 (0.48) KCNQ1FKBP1AFKBP5FKBP4ITGA4
SCHEMBL1384421 0.90 KCNQ1 (0.48) KCNQ1FKBP1AFKBP5FKBP4ITGA4
SCHEMBL630287 0.88 KCNQ1 (0.39) KCNQ1FKBP1AFKBP5FKBP4YAP1
SCHEMBL1384029 0.85 KCNQ1 (0.48) KCNQ1FKBP1AFKBP5FKBP4ITGA4
SCHEMBL13206995 0.85 KCNQ1 (0.48) KCNQ1FKBP1AFKBP5FKBP4ITGA4
SCHEMBL629802 0.85 KCNQ1 (0.48) KCNQ1FKBP1AFKBP5FKBP4ITGA4
SCHEMBL8268315 0.85 KCNQ1 (0.48) KCNQ1FKBP1AFKBP5FKBP4ITGA4
SCHEMBL1381826 0.83 KCNQ1 (0.49) KCNQ1FKBP1AFKBP5FKBP4ITGA4
SCHEMBL630553 0.83 KCNQ1 (0.49) KCNQ1FKBP1AFKBP5FKBP4ITGA4

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 claimed