SCHEMBL10044878

SCHEMBL10044878

CC(=O)/C=C/CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.50
MAPT P10636 4/20 0.50
CYP19A1 P11511 2/20 0.50
FFAR1 O14842 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RXRA P19793 1/20 0.50
OXER1 Q8TDS5 1/20 0.50
LMNA P02545 3/20 0.42
SLC15A2 Q16348 1/20 0.42
PPARA Q07869 5/20 0.41
FASN P49327 1/20 0.41
EPHX2 P34913 1/20 0.39
TERT O14746 3/20 0.39
PTPN1 P18031 3/20 0.39
PPARD Q03181 3/20 0.39
BLM P54132 2/20 0.39
HSD17B10 Q99714 2/20 0.39
FABP4 P15090 2/20 0.39
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39

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
SCHEMBL9227210 1.00 PPARG (0.50) PPARGMAPTCYP19A1FFAR1ALDH1A1
SCHEMBL128035 0.79 PPARG (0.48) PPARGMAPTCYP19A1FFAR1ALDH1A1
SCHEMBL892009 0.79 PPARG (0.48) PPARGMAPTCYP19A1FFAR1ALDH1A1
SCHEMBL150983 0.79 PPARG (0.48) PPARGMAPTCYP19A1FFAR1ALDH1A1
SCHEMBL11580321 0.78 ALDH1A1 (0.52) PPARGMAPTCYP19A1FFAR1ALDH1A1
SCHEMBL11580318 0.78 ALDH1A1 (0.52) PPARGMAPTCYP19A1FFAR1ALDH1A1
SCHEMBL2540034 0.78 PPARG (0.64) PPARGMAPTCYP19A1FFAR1ALDH1A1
SCHEMBL176452 0.78 PPARG (0.64) PPARGMAPTCYP19A1FFAR1ALDH1A1
SCHEMBL176453 0.78 PPARG (0.64) PPARGMAPTCYP19A1FFAR1ALDH1A1
SCHEMBL21140906 0.77 PPARA (0.44) PPARGALDH1A1PPARAPPARD

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-8778645-B2 Method for the production of glutaconate BASF SE (DE) 2014-07-15 US disclosed
US-20120021472-A1 Method for the Production of Glutaconate BASF SE (DE) 2012-01-26 US disclosed