SCHEMBL6567707

SCHEMBL6567707

CC(C)CCCCCOC(=O)C=Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
LMNA P02545 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
AKR1B10 O60218 5/20 0.57
AKR1B1 P15121 5/20 0.57
ESR1 P03372 1/20 0.57
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
APP P05067 7/20 0.49
MAOB P27338 1/20 0.49
ALOX5 P09917 1/20 0.47

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
SCHEMBL16616720 0.99 ALDH1A1 (0.60) ALDH1A1LMNATDP1AKR1B10AKR1B1
SCHEMBL5013115 0.94 ALDH1A1 (0.61) ALDH1A1LMNATDP1AKR1B10AKR1B1
SCHEMBL29817892 0.91 ESR1 (0.49) ALDH1A1LMNATDP1AKR1B10AKR1B1
Myristic Acid SCHEMBL27577976 0.89 APP (0.52) ALDH1A1LMNATDP1AKR1B10AKR1B1
SCHEMBL81835 0.88 LMNA (0.72) ALDH1A1LMNATDP1AKR1B10AKR1B1
SCHEMBL81836 0.88 LMNA (0.72) ALDH1A1LMNATDP1AKR1B10AKR1B1
SCHEMBL13833758 0.88 AKR1B10 (0.71) ALDH1A1LMNAAKR1B10AKR1B1MEN1
Methyl Alcohol SCHEMBL21995794 0.87 LMNA (0.70) ALDH1A1LMNATDP1AKR1B10AKR1B1
SCHEMBL15347088 0.87 AKR1B10 (0.73) ALDH1A1LMNAAKR1B10AKR1B1MEN1
SCHEMBL13834132 0.87 AKR1B10 (0.73) ALDH1A1LMNAAKR1B10AKR1B1MEN1

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-116162022-A Method for preparing cinnamic acid ester by catalysis of one-carbon-based solid acid 陕西科技大学 2023-05-26 CN disclosed
EP-1452161-A1 EXTERNAL PREPARATION FOR THE SKIN AND COPOLYMER TO BE USED THEREIN POLA CHEMICAL INDUSTRIES, INC. (JP) 2004-09-01 EP disclosed