SCHEMBL28554252

SCHEMBL28554252

O=COCCCCCCCCCCCCCO

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ACHE P22303 6/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
APP P05067 2/20 0.31
CYP3A4 P08684 1/20 0.31
PRKCA P17252 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2285393 1.00 GAA (0.36) GAAGPR84FFAR1FFAR4ACHE
SCHEMBL2280925 1.00 GAA (0.36) GAAGPR84FFAR1FFAR4ACHE
SCHEMBL2283367 1.00 GAA (0.36) GAAGPR84FFAR1FFAR4ACHE
SCHEMBL2285364 1.00 GAA (0.36) GAAGPR84FFAR1FFAR4ACHE
SCHEMBL303934 1.00
SCHEMBL2286776 1.00 GAA (0.36) GAAGPR84FFAR1FFAR4ACHE
SCHEMBL2284493 1.00 GAA (0.36) GAAGPR84FFAR1FFAR4ACHE
SCHEMBL2281635 1.00 GAA (0.36) GAAGPR84FFAR1FFAR4ACHE
SCHEMBL302819 0.97
Ethylene SCHEMBL27540279 0.92 GAA (0.31) GAAALDH1A1TSHRCYP3A4

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
CN-110357782-B Preparation method of medium-long chain fatty alcohol and ester thereof 中国科学技术大学 2022-03-01 CN disclosed
CN-108409560-B 1, 13-tridecanediol ester and preparation method of 1, 13-tridecanediol thereof 合肥利夫生物科技有限公司 2021-04-06 CN disclosed