SCHEMBL630316

SCHEMBL630316

CCOc1ccc(NC(=O)C(Cc2ccc([C@H](C)O)cc2)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.52
KCNQ1 P51787 1/20 0.48
KMT2A Q03164 1/20 0.48
ITGB1 P05556 6/20 0.47
ITGA5 P08648 3/20 0.47
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
ITGA4 P13612 3/20 0.45
BDKRB1 P46663 2/20 0.41
FKBP1A P62942 1/20 0.41
ITGB7 P26010 1/20 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
SCHEMBL1383043 1.00 LMNA (0.53) LMNAPOLBKCNQ1KMT2AITGB1
SCHEMBL13206969 1.00 LMNA (0.53) LMNAPOLBKCNQ1KMT2AITGB1
SCHEMBL1382765 0.91 POLB (0.54) LMNAPOLBKCNQ1KMT2AITGB1
SCHEMBL630349 0.91 POLB (0.54) LMNAPOLBKCNQ1KMT2AITGB1
SCHEMBL631181 0.90 LMNA (0.44) LMNAPOLBKCNQ1KMT2AHCRTR1
SCHEMBL13206972 0.89 POLB (0.53) POLBKCNQ1ITGB1ITGA5HCRTR1
SCHEMBL8269061 0.89 POLB (0.53) POLBKCNQ1ITGB1ITGA5HCRTR1
SCHEMBL630004 0.89 POLB (0.53) POLBKCNQ1ITGB1ITGA5HCRTR1
SCHEMBL13206964 0.88 POLB (0.51) LMNAPOLBKCNQ1KMT2AITGB1
SCHEMBL1383068 0.88 POLB (0.51) LMNAPOLBKCNQ1KMT2AITGB1

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