SCHEMBL11240378

SCHEMBL11240378

CCCCCCCCCCCCCCCCNc1ccc(CCCC(=O)OCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 2/20 0.52
CYP4F11 Q9HBI6 1/20 0.52
CYP4F12 Q9HCS2 1/20 0.52
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
S1PR1 P21453 3/20 0.47
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 2/20 0.45
THRA P10827 3/20 0.45
THRB P10828 3/20 0.45
HPGD P15428 1/20 0.45
FAAH O00519 1/20 0.45
S1PR3 Q99500 2/20 0.44
S1PR2 O95136 1/20 0.44
SPHK1 Q9NYA1 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
SCHEMBL11244302 0.93 CYP4F2 (0.56) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL11236131 0.93 CYP4F2 (0.56) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL11228905 0.93 CYP4F2 (0.56) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL11240733 0.93 CYP4F2 (0.56) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL11243340 0.93 CYP4F2 (0.56) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL11226805 0.93 CYP4F2 (0.56) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL11586841 0.91 S1PR1 (0.51) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL11586777 0.88 CYP4F2 (0.51) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL11244460 0.88 DGKA (0.47) S1PR1SPHK1
SCHEMBL11239282 0.87 MAPT (0.57) S1PR1THRATHRBSPHK1

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-4348399-A Antiatherosclerotic and hypolipidemic 4-(monoalkylamino)phenyl alkane, alkene and alkyne carbinols, aldehydes, carboxylic acids and derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed