SCHEMBL9711170

SCHEMBL9711170

CCCCCCC(C)=O.CCCCCCC(C)N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.61
TP53 P04637 1/20 0.60
FFAR4 Q5NUL3 1/20 0.47
FFAR1 O14842 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
PAOX Q6QHF9 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
FAAH O00519 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
LAP3 P28838 1/20 0.44
GPR84 Q9NQS5 2/20 0.43
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL1746125 1.00 OPRM1 (0.61) OPRM1TP53FFAR4FFAR1SPHK1
SCHEMBL24767279 0.92 PAOX (0.54) OPRM1TP53PAOXALDH1A1TDP1
SCHEMBL20380827 0.86 OPRM1 (0.64) OPRM1TP53FFAR4FFAR1SPHK1
Acetic Acid SCHEMBL5575019 0.86 OPRM1 (0.70) OPRM1TP53FFAR4FFAR1SPHK1
Carbamic Acid SCHEMBL28702337 0.86 OPRM1 (0.70) OPRM1TP53FFAR4FFAR1SPHK1
Octanoic Acid SCHEMBL5570462 0.85 FFAR4 (0.67) OPRM1TP53FFAR4FFAR1ALDH1A1
Decanoic Acid SCHEMBL5570509 0.85 FFAR4 (0.67) OPRM1TP53FFAR4FFAR1ALDH1A1
Hexanoate SCHEMBL5574998 0.85 FFAR4 (0.67) OPRM1TP53FFAR4FFAR1ALDH1A1
SCHEMBL22605941 0.84 ACE2 (0.60) FFAR4FFAR1ALDH1A1CES2CES1
SCHEMBL22646493 0.84 FFAR4 (0.50) FFAR4FFAR1ALDH1A1CES2CES1

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
US-5145998-A Reduction of oxime or silyloxime SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-09-08 US disclosed