SCHEMBL28264170

SCHEMBL28264170

C/C=C(\CCCC)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLO1 Q04760 1/20 0.41
ALDH1A1 P00352 7/20 0.40
TP53 P04637 1/20 0.38
ATM Q13315 1/20 0.38
APEX1 P27695 1/20 0.37
CA1 P00915 1/20 0.37
DGKA P23743 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL11662411 0.94 FAAH (0.54) FAAHCES1CES2ALDH1A1DGKA
SCHEMBL11662406 0.94 FAAH (0.54) FAAHCES1CES2ALDH1A1DGKA
SCHEMBL28585839 0.92 FAAH (0.57) FAAHCES1CES2ALDH1A1DGKA
Hydrochloric Acid SCHEMBL28605879 0.90 FAAH (0.56) FAAHCES1CES2ALDH1A1DGKA
SCHEMBL16481599 0.87 NPSR1 (0.43) FAAHCES1CES2NPSR1GLO1
SCHEMBL9281644 0.87 NPSR1 (0.43) FAAHCES1CES2NPSR1GLO1
SCHEMBL998617 0.86 ATM (0.50) CES1CES2NPSR1ALDH1A1TP53
SCHEMBL3355797 0.84 FAAH (0.45) FAAHCES1CES2NPSR1GLO1
SCHEMBL1244622 0.82 NPSR1 (0.55) FAAHCES1CES2NPSR1GLO1
SCHEMBL1244624 0.82 NPSR1 (0.55) FAAHCES1CES2NPSR1GLO1

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-109233525-A A kind of mental package product inner coating and preparation method thereof 四川高盛包装制品有限公司 2019-01-18 CN claimed
CN-109233525-A A kind of mental package product inner coating and preparation method thereof 四川高盛包装制品有限公司 2019-01-18 CN disclosed