SCHEMBL4582877

SCHEMBL4582877

CC=CCC/C=C\COC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 2/20 0.46
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGS1 P23219 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
PTPN1 P18031 1/20 0.34
PRKCA P17252 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PGR P06401 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 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
SCHEMBL869682 1.00 ALDH1A1 (0.46) ALDH1A1ALOX15LMNAHSD17B10PTGS1
SCHEMBL11782913 1.00 ALDH1A1 (0.46) ALDH1A1ALOX15LMNAHSD17B10PTGS1
SCHEMBL1301056 1.00 ALDH1A1 (0.46) ALDH1A1ALOX15LMNAHSD17B10PTGS1
SCHEMBL11782908 1.00 ALDH1A1 (0.46) ALDH1A1ALOX15LMNAHSD17B10PTGS1
SCHEMBL1301057 1.00 ALDH1A1 (0.46) ALDH1A1ALOX15LMNAHSD17B10PTGS1
SCHEMBL4582875 1.00 ALDH1A1 (0.46) ALDH1A1ALOX15LMNAHSD17B10PTGS1
SCHEMBL31487356 0.98 ALDH1A1 (0.44) ALDH1A1ALOX15LMNAHSD17B10PTGS1
SCHEMBL14296530 0.91 ALDH1A1 (0.47) ALDH1A1ALOX15LMNAHSD17B10PTGS1
SCHEMBL31508640 0.91 ALDH1A1 (0.47) ALDH1A1ALOX15LMNAHSD17B10PTGS1
SCHEMBL280688 0.86

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
EP-1884555-A2 Masking mineral oil smell and scenting of mineral oils Symrise GmbH & Co. KG (DE) 2008-02-06 EP disclosed