Octanol

Octanol

SCHEMBL6324775

CCCCCCCCO.CCOC(C)OCC

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.55
THRB P10828 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
PTPN1 P18031 1/20 0.39
OPRM1 P35372 1/20 0.36
DNM1 Q05193 1/20 0.35

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
Butyl Alcohol SCHEMBL8042983 0.91 LMNA (0.60) LMNAALDH1A1MEN1KMT2ATSHR
Decane SCHEMBL11569605 0.88 LMNA (0.71) LMNAALDH1A1TSHRTHRBOPRM1
1,3-Propanediol SCHEMBL4129045 0.85 LMNA (0.67) LMNAALDH1A1MEN1KMT2ATSHR
Hexane SCHEMBL15914691 0.85 LMNA (0.75) LMNATSHRTHRBOPRM1DNM1
SCHEMBL25891403 0.84 LMNA (0.56) LMNAALDH1A1MEN1KMT2ATSHR
Heptane SCHEMBL10621813 0.83 LMNA (0.63) LMNAALDH1A1TSHRTHRBOPRM1
Propanol SCHEMBL8131034 0.83 LMNA (0.71) LMNAALDH1A1MEN1KMT2ATSHR
1-Hexanol SCHEMBL16702072 0.80 LMNA (0.56) LMNAALDH1A1MEN1KMT2ATSHR
Ethylene Glycol SCHEMBL356222 0.80 LMNA (0.75) LMNAALDH1A1TSHRTHRB
SCHEMBL873415 0.79 LMNA (0.57) LMNAMEN1KMT2ATSHRTHRB

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-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US disclosed