SCHEMBL11245397

SCHEMBL11245397

CCCCCCCCCCCCCCCCCCCNc1ccc(CCC(=O)OCCOCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.49
ABCB11 O95342 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2B P18089 1/20 0.49
OPRD1 P41143 1/20 0.49
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
DGKA P23743 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 2/20 0.42
S1PR1 P21453 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAOA P21397 1/20 0.42
CNR1 P21554 1/20 0.42
DRD4 P21917 1/20 0.42
ACHE P22303 1/20 0.42
HRH2 P25021 1/20 0.42

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
SCHEMBL11235318 1.00 SCN5A (0.49) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL11241265 1.00 SCN5A (0.49) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL11226805 0.90 CYP4F2 (0.56) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL11244302 0.90 CYP4F2 (0.56) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL11243340 0.90 CYP4F2 (0.56) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL11240733 0.90 CYP4F2 (0.56) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL11228905 0.90 CYP4F2 (0.56) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL11236131 0.90 CYP4F2 (0.56) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL11239578 0.88 CYP4F2 (0.48) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL11247325 0.88 CYP4F2 (0.48) SCN5AABCB11CYP3A4ADRA2BOPRD1

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