SCHEMBL14424840

SCHEMBL14424840

CC(C)[S+]([O-])Nc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.57
EPHX2 P34913 11/20 0.55
PPARG P37231 2/20 0.55
PPARA Q07869 1/20 0.55
MAPK14 Q16539 1/20 0.52
NR1H4 Q96RI1 9/20 0.51
NAMPT P43490 1/20 0.50
MLYCD O95822 1/20 0.46
MTOR P42345 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM1A O60341 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL14424316 0.84 TRPV1 (0.61) EPHX2HDAC3HDAC8HDAC6
SCHEMBL10116639 0.77 PPARA (0.67) LSSEPHX2PPARGPPARAMAPK14
SCHEMBL13947580 0.76 LSS (0.72) LSSEPHX2PPARGPPARAMAPK14
SCHEMBL14424663 0.75 GAA (0.47) NR1H4HDAC3HDAC8HDAC6
SCHEMBL3455877 0.75 LSS (0.69) LSSEPHX2PPARGPPARAMAPK14
SCHEMBL4497840 0.75 LSS (0.69) LSSEPHX2PPARGPPARAMAPK14
SCHEMBL20477562 0.75 L3MBTL1 (0.69) LSSEPHX2PPARGPPARAMAPK14
SCHEMBL6572354 0.75 HDAC6 (0.72) LSSEPHX2PPARGPPARAMAPK14
SCHEMBL20477571 0.74 MEN1 (0.73) LSSEPHX2PPARGPPARAMAPK14
SCHEMBL3158764 0.74 EPHX2 (0.73) LSSEPHX2PPARGPPARAMAPK14

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
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed