SCHEMBL13655975

SCHEMBL13655975

CCOC(C)Cc1cccc(NCCCc2ccc(OS(C)(=O)=O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.44
PPARA Q07869 5/20 0.44
SIGMAR1 Q99720 7/20 0.41
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
FAAH O00519 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
SCHEMBL13655913 0.89 PPARA (0.40) PPARGPPARASIGMAR1KMT2APOLB
SCHEMBL4073429 0.88 PPARA (0.60) PPARGPPARA
SCHEMBL13655823 0.88 PPARA (0.50) PPARGPPARASIGMAR1POLB
SCHEMBL13655792 0.88 PPARA (0.50) PPARGPPARASIGMAR1POLB
SCHEMBL4076444 0.85 PPARA (0.49) PPARGPPARAKMT2AFAAH
Arginine SCHEMBL4076709 0.77 PPARG (0.47) PPARGPPARA
Arginine SCHEMBL4073136 0.77 PPARG (0.47) PPARGPPARA
SCHEMBL13656061 0.77 SIGMAR1 (0.43) PPARGPPARASIGMAR1POLB
SCHEMBL13656062 0.77 SLC2A1 (0.43) SIGMAR1FAAH
SCHEMBL4075627 0.76 PPARA (0.69) PPARGPPARA

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