SCHEMBL7202673

SCHEMBL7202673

CC(SCCC(C)(C)C(=O)OCc1ccccc1)c1ccc(CSCCC(C)(C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.39
PPARG P37231 4/20 0.39
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
METAP2 P50579 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
EPHX1 P07099 3/20 0.34
CYP26A1 O43174 1/20 0.34
P2RX3 P56373 1/20 0.34

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
SCHEMBL6346285 0.89 CYP2C19 (0.46) PPARAPPARGCYP2C19L3MBTL1LMNA
SCHEMBL7202669 0.84 PTGER1 (0.43) PPARAPPARGCYP2C19LMNAALDH1A1
SCHEMBL6344402 0.80 ALDH1A1 (0.49) L3MBTL1MEN1LMNAKMT2AALDH1A1
SCHEMBL6345166 0.77 ALDH1A1 (0.46) L3MBTL1MEN1LMNAKMT2AALDH1A1
SCHEMBL6342853 0.72 ALDH1A1 (0.46) L3MBTL1MEN1LMNAKMT2AALDH1A1
SCHEMBL6346577 0.72 ELANE (0.44) PPARAPPARGCYP2C19L3MBTL1MEN1
SCHEMBL25576433 0.71 ALDH1A1 (0.51) L3MBTL1MEN1LMNAKMT2AALDH1A1
SCHEMBL10264120 0.71 RIPK1 (0.50) L3MBTL1MEN1LMNAKMT2AALDH1A1
SCHEMBL10264364 0.71 ALDH1A1 (0.47) L3MBTL1MEN1LMNAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL25212066 0.70 ALDH1A1 (0.50) L3MBTL1MEN1LMNAKMT2AALDH1A1

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
WO-2002030882-A9 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed