SCHEMBL13508337

SCHEMBL13508337

CCOC(=O)COc1ccc(CCCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PPARA Q07869 3/20 0.54
PPARG P37231 1/20 0.54
CYP4A11 Q02928 3/20 0.54
CYP4F2 P78329 2/20 0.54
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47

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
Ethane SCHEMBL3685478 0.98 GAA (0.56) GAANPSR1PPARAPPARGCYP4A11
SCHEMBL6375038 0.91 CYP4F2 (0.66) GAANPSR1PPARAPPARGCYP4A11
SCHEMBL11817150 0.89 PPARA (0.63) GAANPSR1PPARAPPARGKDM4E
SCHEMBL12869146 0.88 PPARA (0.69) GAANPSR1PPARAPPARG
SCHEMBL28405319 0.87 PPARA (0.71) GAANPSR1PPARAPPARGALDH1A1
SCHEMBL15922116 0.87 PPARA (0.71) GAANPSR1PPARAPPARGALDH1A1
SCHEMBL2292200 0.85 PPARA (0.55) GAANPSR1PPARAPPARGKDM4E
Hydrochloric Acid SCHEMBL28797126 0.85 GAA (0.55) GAANPSR1PPARAPPARGKDM4E
SCHEMBL1431250 0.84 CYP4A11 (0.57) PPARACYP4A11CYP4F2LTA4HEPHX2
SCHEMBL8321862 0.84 GAA (0.64) GAANPSR1PPARAPPARGCYP4A11

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
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed