SCHEMBL11240733

SCHEMBL11240733

CCCCCCCCNc1ccc(CCC(=O)OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
CYP4Z1 Q86W10 3/20 0.49
S1PR1 P21453 1/20 0.45
HPGD P15428 2/20 0.45
TLR7 Q9NYK1 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2B P18089 1/20 0.44
OPRD1 P41143 1/20 0.44
SCN5A Q14524 1/20 0.44
CYP4F11 Q9HBI6 1/20 0.44
CYP4F12 Q9HCS2 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
EPHX2 P34913 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 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
SCHEMBL11243340 1.00 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1S1PR1HPGD
SCHEMBL11244302 1.00 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1S1PR1HPGD
SCHEMBL11228905 1.00 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1S1PR1HPGD
SCHEMBL11236131 1.00 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1S1PR1HPGD
SCHEMBL11226805 1.00 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1S1PR1HPGD
SCHEMBL11240378 0.93 CYP4Z1 (0.52) CYP4F2CYP4A11CYP4Z1S1PR1HPGD
SCHEMBL11245397 0.90 SCN5A (0.49) CYP4F2CYP4A11S1PR1HPGDABCB11
SCHEMBL11241265 0.90 SCN5A (0.49) CYP4F2CYP4A11S1PR1HPGDABCB11
SCHEMBL11235318 0.90 SCN5A (0.49) CYP4F2CYP4A11S1PR1HPGDABCB11
SCHEMBL11586841 0.89 S1PR1 (0.51) CYP4F2CYP4A11CYP4Z1S1PR1CYP4F11

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