SCHEMBL29124209

SCHEMBL29124209

C=CCCC=CO.C=CCOC(=O)C(=C)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31

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
SCHEMBL368270 0.85 HSD17B10 (0.47) ALOX15HSD17B10MAPTCACNA1BAPBA1
SCHEMBL11698173 0.84 HSD17B10 (0.45) ALOX15HSD17B10MAPTCACNA1BAPBA1
SCHEMBL29124211 0.83 ALOX15 (0.39) ALOX15HSD17B10MAPTCACNA1BAPBA1
SCHEMBL5808860 0.82 ALOX15 (0.39) ALOX15HSD17B10
Itaconate SCHEMBL27216259 0.80 ALOX15 (0.57) ALOX15HSD17B10MAPT
SCHEMBL10939902 0.78 HSD17B10 (0.44) ALOX15HSD17B10MAPTCACNA1BAPBA1
SCHEMBL29124224 0.76 ALOX15 (0.36) ALOX15HSD17B10MAPTCACNA1BAPBA1
Cis-3-Hexenol SCHEMBL29124201 0.75 PTGS1 (0.36) ALOX15HSD17B10MAPT
SCHEMBL5139321 0.75 CYP3A4 (0.35) HSD17B10MAPTCACNA1BAPBA1
SCHEMBL9319275 0.74 ALOX15 (0.37) ALOX15HSD17B10MAPTCACNA1BAPBA1

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-115537242-B Diesel antiwear agent composition, preparation method thereof and diesel oil composition 中国石油化工股份有限公司 2023-11-10 CN disclosed