SCHEMBL28311963

SCHEMBL28311963

O=C(O)C(O)CCCCCC=CCC=CCC=CCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.47
FFAR1 O14842 3/20 0.47
ALDH1A1 P00352 5/20 0.41
F7 P08709 4/20 0.41
F3 P13726 4/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP19A1 P11511 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
PTGS1 P23219 2/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
DUSP3 P51452 1/20 0.41

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
SCHEMBL28728652 0.95 GPR84 (0.52) GPR84FFAR1ALDH1A1MAPTFFAR4
SCHEMBL580357 0.95 GPR84 (0.52) GPR84FFAR1ALDH1A1MAPTFFAR4
SCHEMBL29033660 0.95 GPR84 (0.52) GPR84FFAR1ALDH1A1MAPTFFAR4
SCHEMBL17986393 0.95 GPR84 (0.52) GPR84FFAR1ALDH1A1MAPTFFAR4
SCHEMBL2229251 0.95 GPR84 (0.52) GPR84FFAR1ALDH1A1MAPTFFAR4
SCHEMBL28126407 0.91 GPR84 (0.47) GPR84FFAR1MAPTLMNAALOX15
SCHEMBL20550999 0.88 GPR84 (0.48) GPR84FFAR1ALDH1A1MAPTPPARG
SCHEMBL28102200 0.87 GPR84 (0.52) GPR84FFAR1ALDH1A1MAPTPPARG
Oleyl Alcohol SCHEMBL10577663 0.87 GPR84 (0.68) GPR84FFAR1F7F3MAPT
SCHEMBL25292133 0.86 GPR84 (0.41) GPR84FFAR1ALDH1A1MAPTPPARG

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
CN-105784982-B The application of refining unsaturated fatty acid metabolite 上海市计划生育科学研究所 2019-07-19 CN disclosed