SCHEMBL13655792

SCHEMBL13655792

CCOC(C)Cc1ccc(NCCCc2ccc(OS(C)(=O)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.50
PPARG P37231 8/20 0.50
SIGMAR1 Q99720 4/20 0.42
MAPT P10636 1/20 0.35
ACACB O00763 1/20 0.35
GRIN1 Q05586 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 1/20 0.35
POLB P06746 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
SCHEMBL13655823 1.00 PPARA (0.50) PPARAPPARGSIGMAR1MAPTACACB
SCHEMBL13656061 0.88 SIGMAR1 (0.43) PPARAPPARGSIGMAR1MAPTGRIN1
SCHEMBL13655975 0.88 PPARG (0.44) PPARAPPARGSIGMAR1POLB
SCHEMBL4075627 0.87 PPARA (0.69) PPARAPPARG
SCHEMBL4080000 0.87 PPARA (0.69) PPARAPPARG
SCHEMBL13655817 0.86 PPARG (0.48) PPARAPPARGMAPTACACB
SCHEMBL4073415 0.84 PPARA (0.56) PPARAPPARG
SCHEMBL4076344 0.84 PPARA (0.56) PPARAPPARG
SCHEMBL4797636 0.81 FFAR1 (0.52) PPARAPPARG
SCHEMBL13655889 0.81 PPARG (0.53) PPARAPPARGMAPT

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-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed