SCHEMBL11236124

SCHEMBL11236124

CCCCCCCCCCNc1ccc(CCC(=O)OCc2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
TLR2 O60603 1/20 0.43
LPAR3 Q9UBY5 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ENPP2 Q13822 1/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
ALOX12 P18054 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 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
SCHEMBL11238689 1.00 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNATLR2
SCHEMBL11235830 0.85 HPGD (0.53) HDAC1HDAC2HDAC3HDAC8HPGD
SCHEMBL11236735 0.85 HPGD (0.53) HDAC1HDAC2HDAC3HDAC8HPGD
SCHEMBL11237791 0.85 HPGD (0.53) HDAC1HDAC2HDAC3HDAC8HPGD
SCHEMBL11236862 0.85 HPGD (0.53) HDAC1HDAC2HDAC3HDAC8HPGD
SCHEMBL11246827 0.83 HPGD (0.46) SMN1; SMN2LMNATLR2HPGDMEN1
SCHEMBL11238170 0.81 FAAH (0.55) NPC1RAB9ASMN1; SMN2LMNATLR2
SCHEMBL11244302 0.81 CYP4F2 (0.56) HPGDMAPTTLR7ALDH1A1
SCHEMBL11243340 0.81 CYP4F2 (0.56) HPGDMAPTTLR7ALDH1A1
SCHEMBL11240733 0.81 CYP4F2 (0.56) HPGDMAPTTLR7ALDH1A1

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