SCHEMBL8305013

SCHEMBL8305013

Cc1nc(-c2ccccc2)n(C)c1C=NOCCOc1ccc(CC2SC(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.37
CYP2C9 P11712 2/20 0.32
PPARA Q07869 2/20 0.32
KCNH2 Q12809 2/20 0.32
CYP3A4 P08684 1/20 0.32
RARG P13631 1/20 0.32
RXRA P19793 1/20 0.32
FFAR1 O14842 7/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
ESR1 P03372 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL8305008 1.00 PPARG (0.37) PPARGCYP2C9PPARAKCNH2CYP3A4
SCHEMBL8305072 0.84 PPARG (0.37) PPARGRARGRXRAFFAR1MAPT
SCHEMBL8305071 0.84 PPARG (0.37) PPARGRARGRXRAFFAR1MAPT
SCHEMBL8308949 0.83 PPARG (0.38) PPARGRARGRXRAFFAR1KDM4E
SCHEMBL8308951 0.83 PPARG (0.38) PPARGRARGRXRAFFAR1KDM4E
SCHEMBL8304602 0.82 PPARG (0.55) PPARGPPARARARGRXRAFFAR1
SCHEMBL8304608 0.82 PPARG (0.55) PPARGPPARARARGRXRAFFAR1
SCHEMBL8307958 0.82 PPARG (0.38) PPARGRARGRXRAFFAR1KDM4E
SCHEMBL8307959 0.82 PPARG (0.38) PPARGRARGRXRAFFAR1KDM4E
SCHEMBL8305973 0.82 PPARG (0.47) PPARGRARGRXRAFFAR1ALDH1A1

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
US-5972959-A Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1999-10-26 US disclosed
EP-0708098-B1 Oxime derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1999-03-03 EP disclosed
EP-0708098-A1 Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-04-24 EP disclosed