Octanol

Octanol

SCHEMBL5384517

CCCCCC.CCCCCCCCO.CCCO

nearest known ligand 0.93

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.93
ALDH1A1 P00352 3/20 0.93
TSHR P16473 3/20 0.93
MEN1 O00255 2/20 0.93
KMT2A Q03164 2/20 0.93
HSD17B10 Q99714 1/20 0.93
SMN1; SMN2 Q16637 1/20 0.86
THRB P10828 2/20 0.57
DNM1 Q05193 3/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
CES2 O00748 3/20 0.43
CES1 P23141 3/20 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
Cetyl Alcohol SCHEMBL6869168 1.00 LMNA (0.93) LMNAALDH1A1TSHRMEN1KMT2A
Octanol SCHEMBL11019558 1.00 LMNA (0.93) LMNAALDH1A1TSHRMEN1KMT2A
1-Heptanol SCHEMBL20856916 1.00 LMNA (0.93) LMNAALDH1A1TSHRMEN1KMT2A
1-Hexanol SCHEMBL8388758 1.00 LMNA (0.93) LMNAALDH1A1TSHRMEN1KMT2A
Octanol SCHEMBL29017475 0.97 LMNA (0.87) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL25421234 0.96 LMNA (1.00) LMNAALDH1A1TSHRMEN1KMT2A
Docosanol SCHEMBL21218972 0.96 LMNA (1.00) LMNAALDH1A1TSHRMEN1KMT2A
Undecanol SCHEMBL17978221 0.96 LMNA (1.00) LMNAALDH1A1TSHRMEN1KMT2A
Cetostearyl Alcohol SCHEMBL20515901 0.96 LMNA (1.00) LMNAALDH1A1TSHRMEN1KMT2A
1-Heptanol SCHEMBL2685228 0.96 LMNA (1.00) LMNAALDH1A1TSHRMEN1KMT2A

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-7186534-B1 Potent inhibitors of human 9-cis retinol dehydrogenase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-06 US disclosed
US-6171837-B1 AMINO ACID AND NUCLEOTIDE SEQUENCE; SCREENING FOR PREDISPOSITION TO CANCER; SCREENING FOR ENZYME INHIBITORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2001-01-09 US disclosed