SCHEMBL11233148

SCHEMBL11233148

CCCCCCCCCCCCCCCCN(C(C)=O)c1ccc(CCC(=O)OCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
CYP4Z1 Q86W10 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PAX8 Q06710 2/20 0.44
JAK2 O60674 1/20 0.44
ALOX5 P09917 1/20 0.43
MLYCD O95822 1/20 0.42
CYP4F11 Q9HBI6 1/20 0.42
CYP4F12 Q9HCS2 1/20 0.42
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GPX4 P36969 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11226774 0.85 CYP4F2 (0.55) CYP4F2CYP4A11CYP4Z1ALOX5CYP4F11
SCHEMBL846137 0.84 CYP4F2 (0.57) CYP4F2CYP4A11CYP4Z1SMN1; SMN2ALOX5
SCHEMBL12780429 0.83 CYP4F2 (0.59) CYP4F2CYP4A11CYP4Z1ALOX5CYP4F11
SCHEMBL6288506 0.79 CYP4F2 (0.70) CYP4F2CYP4A11CYP4Z1ALOX5CYP4F11
SCHEMBL13791513 0.78 NPC1 (0.55) NPC1RAB9APAX8JAK2MLYCD
SCHEMBL6286441 0.78 CYP4F2 (0.72) CYP4F2CYP4A11CYP4Z1ALOX5CYP4F11
SCHEMBL10206072 0.78 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1SMN1; SMN2ALOX5
SCHEMBL11585344 0.77 THRA (0.51) CYP4F2CYP4A11CYP4Z1ALOX5CYP4F11
SCHEMBL13791114 0.76 RAB9A (0.53) NPC1RAB9APAX8JAK2MLYCD
SCHEMBL68902 0.76 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1ALOX5CYP4F11

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-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 claimed
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