SCHEMBL11548749

SCHEMBL11548749

CCCCCCCC/C=C\CCCCCCCCC(CO)OCC

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
CNR1 P21554 2/20 0.57
CNR2 P34972 2/20 0.57
PRKCA P17252 2/20 0.48
PRKCE Q02156 1/20 0.48
PRKCQ Q04759 1/20 0.48
PRKCD Q05655 1/20 0.48
FAAH O00519 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
LPAR3 Q9UBY5 2/20 0.45
LPAR1 Q92633 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44

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
SCHEMBL10717521 1.00 ALDH1A1 (0.57) ALDH1A1CNR1CNR2PRKCAPRKCE
SCHEMBL10718626 0.95 ALDH1A1 (0.65) ALDH1A1CNR1CNR2FAAHMAPT
SCHEMBL27503911 0.89 LMNA (0.52) ALDH1A1CNR1CNR2PRKCAPRKCE
SCHEMBL27817187 0.89 LMNA (0.52) ALDH1A1CNR1CNR2PRKCAPRKCE
SCHEMBL28803871 0.89 LMNA (0.52) ALDH1A1CNR1CNR2PRKCAPRKCE
SCHEMBL5857227 0.89 LMNA (0.52) ALDH1A1CNR1CNR2PRKCAPRKCE
SCHEMBL28253004 0.89 LMNA (0.52) ALDH1A1CNR1CNR2PRKCAPRKCE
SCHEMBL9805659 0.89 LMNA (0.52) ALDH1A1CNR1CNR2PRKCAPRKCE
SCHEMBL10796538 0.89 LMNA (0.52) ALDH1A1CNR1CNR2PRKCAPRKCE
SCHEMBL10800419 0.89 LMNA (0.52) ALDH1A1CNR1CNR2PRKCAPRKCE

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
US-4145309-A SULFONATED OIL, ALCOHOL, NONIONIC SURFACTANT CITIES SERVICE COMPANY (US) 1979-03-20 US claimed
US-4145309-A SULFONATED OIL, ALCOHOL, NONIONIC SURFACTANT CITIES SERVICE COMPANY (US) 1979-03-20 US disclosed