SCHEMBL9322388

SCHEMBL9322388

CCCCCCCCCC(C)CC=O.CCCCCCCCCCC(C)C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ACE2 Q9BYF1 1/20 0.42
TSHR P16473 2/20 0.39
FAAH O00519 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
OPRM1 P35372 1/20 0.34
TRPA1 O75762 1/20 0.34
DDAH1 O94760 1/20 0.34
GAPDH P04406 1/20 0.34
MAPT P10636 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
FDPS P14324 3/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL9112561 0.90 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL448297 0.90 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL29003461 0.90 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL158205 0.90 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13295924 0.90 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2925631 0.90 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL29170277 0.90 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14336196 0.90 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1067436 0.90 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15054217 0.88 ACE2 (0.52) ADH1BADH1CADH1AADH4ADH7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0329670-B1 A PROCESS FOR THE HYDROFORMYLATION OF SULFUR-CONTAINING THERMALLY CRACKED PETROLEUM RESIDUA AND NOVEL PRODUCTS THEREOF EXXON RESEARCH ENGINEERING CO (US) 1994-01-26 EP disclosed
US-5072057-A Isomeric alcohol mixture for producing plasticizers and surfac tants EXXON RESEARCH & ENGINEERING CO. (US) 1991-12-10 US disclosed
US-5030774-A Reacting petroleum distillates with carbon monoxide and hydrogen to form aldehyde in presence of carbonyl compounds hydrogenation to form alcohols EXXON RESEARCH AND ENGINEERING CO. (US) 1991-07-09 US disclosed