SCHEMBL7571672

SCHEMBL7571672

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC(CC)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.61
PRKCE Q02156 1/20 0.61
PRKCQ Q04759 1/20 0.61
PRKCD Q05655 1/20 0.61
FAAH O00519 3/20 0.57
MAPT P10636 3/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
DGKA P23743 1/20 0.56
LMNA P02545 3/20 0.56
TERT O14746 3/20 0.56
PTPN1 P18031 3/20 0.56
PPARG P37231 3/20 0.56
PPARD Q03181 3/20 0.56
PPARA Q07869 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
BLM P54132 2/20 0.56

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
SCHEMBL29895909 1.00 PRKCA (0.61) PRKCAPRKCEPRKCQPRKCDFAAH
Dimethylamine SCHEMBL1933825 0.95 PRKCA (0.57) PRKCAPRKCEPRKCQPRKCDFAAH
Trimethylammonium SCHEMBL25269827 0.94 PRKCA (0.56) PRKCAPRKCEPRKCQPRKCDFAAH
SCHEMBL28366053 0.93 PRKCA (0.54) PRKCAPRKCEPRKCQPRKCDFAAH
Trimethylammonium SCHEMBL7070044 0.93 PRKCA (0.54) PRKCAPRKCEPRKCQPRKCDFAAH
SCHEMBL3656708 0.92 PRKCA (0.57) PRKCAPRKCEPRKCQPRKCDFAAH
SCHEMBL3659817 0.92 PRKCA (0.57) PRKCAPRKCEPRKCQPRKCDFAAH
SCHEMBL3656705 0.92 PRKCA (0.57) PRKCAPRKCEPRKCQPRKCDFAAH
SCHEMBL3660910 0.91 PRKCA (0.56) PRKCAPRKCEPRKCQPRKCDFAAH
SCHEMBL3657897 0.91 PRKCA (0.56) PRKCAPRKCEPRKCQPRKCDFAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232139-A1 NERVONIC ACID DERIVATIVES, THEIR PREPARATION AND USE CRODA INTERNATIONAL plc (GB) 2002-08-21 EP claimed
WO-2001038288-A1 NERVONIC ACID DERIVATIVES, THEIR PREPARATION AND USE CRODA INTERNATIONAL PLC (GB) 2001-05-31 WO claimed
EP-1232139-A1 NERVONIC ACID DERIVATIVES, THEIR PREPARATION AND USE CRODA INTERNATIONAL plc (GB) 2002-08-21 EP disclosed
WO-2001038288-A1 NERVONIC ACID DERIVATIVES, THEIR PREPARATION AND USE CRODA INTERNATIONAL PLC (GB) 2001-05-31 WO disclosed