SCHEMBL27777907

SCHEMBL27777907

CCC(=O)CCCC(=O)COC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FAAH O00519 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 3/20 0.35
PGR P06401 1/20 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
CHRM1 P11229 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRM3 P20309 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL11176308 0.91 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10FAAHTDP1
SCHEMBL31197399 0.84 ALDH1A1 (0.54) ALDH1A1LMNAHSD17B10FAAHPAM
SCHEMBL713608 0.84
SCHEMBL3347834 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10FAAHTDP1TSHR
SCHEMBL5165888 0.81 FAAH (0.55) ALDH1A1HSD17B10FAAHTDP1TSHR
SCHEMBL30845971 0.81 FAAH (0.55) ALDH1A1HSD17B10FAAHTDP1TSHR
SCHEMBL5182290 0.81 FAAH (0.55) ALDH1A1HSD17B10FAAHTDP1TSHR
SCHEMBL4940224 0.81 FAAH (0.55) ALDH1A1HSD17B10FAAHTDP1TSHR
SCHEMBL15903150 0.81 FAAH (0.55) ALDH1A1HSD17B10FAAHTDP1TSHR
SCHEMBL4230636 0.80 ALDH1A1 (0.60) ALDH1A1LMNAHSD17B10TDP1TSHR

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-101538474-B Method for preparing pyroligneous by utilizing apricot shells UNIV NORTHWEST A&F 2013-06-05 CN disclosed
CN-101538474-A Method for preparing wood vinegar from apricot shells UNIV NORTHWEST A&F 2009-09-23 CN disclosed