SCHEMBL25836694

SCHEMBL25836694

CCCCCC/C(C)=C/NC=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
HSP90AA1 P07900 1/20 0.41
GPR84 Q9NQS5 7/20 0.40
PPARG P37231 7/20 0.40
PPARD Q03181 7/20 0.40
PPARA Q07869 7/20 0.40
HDAC11 Q96DB2 5/20 0.40
TSHR P16473 4/20 0.40
PTPN1 P18031 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40

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
SCHEMBL11275241 0.83
SCHEMBL11275244 0.83
SCHEMBL18232054 0.75 SPHK2 (0.41) CES2CES1HSP90AA1GPR84PPARG
SCHEMBL11282460 0.73
SCHEMBL11282491 0.73
SCHEMBL20942892 0.72 ALDH1A1 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL20942874 0.72 ALDH1A1 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL1783889 0.72 ALDH1A1 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL20942871 0.72 ALDH1A1 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL20942872 0.72 ALDH1A1 (0.48) CES2CES1GPR84PPARGPPARD

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-2023135305-A1 LIPIDIC COMPOUNDS, AND USES THEREOF SANOFI (FR) 2023-07-20 WO disclosed