1-Hexanol

1-Hexanol

SCHEMBL6112469

CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CCCCCCO

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
HSD17B10 Q99714 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.57
GPR84 Q9NQS5 6/20 0.50
FFAR1 O14842 2/20 0.50
ACE2 Q9BYF1 1/20 0.50
PPARD Q03181 6/20 0.48
MAPT P10636 1/20 0.48
LCK P06239 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
HDAC11 Q96DB2 4/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
1-Hexanol SCHEMBL2118314 1.00 TSHR (0.62) TSHRALDH1A1LMNAHSD17B10MEN1
1,6-Hexanediol SCHEMBL8420383 0.90 GPR84 (0.50) TSHRALDH1A1LMNAHSD17B10MEN1
1,6-Hexanediol SCHEMBL8421542 0.90 GPR84 (0.50) TSHRALDH1A1LMNAHSD17B10MEN1
Pentadecane SCHEMBL28168073 0.90 GPR84 (0.58) TSHRALDH1A1HSD17B10MEN1KMT2A
Heptane SCHEMBL28164569 0.90 GPR84 (0.58) TSHRALDH1A1HSD17B10MEN1KMT2A
Octane SCHEMBL28234048 0.90 GPR84 (0.58) TSHRALDH1A1HSD17B10MEN1KMT2A
Lactic Acid SCHEMBL29116772 0.88 LMNA (0.59) TSHRALDH1A1LMNAHSD17B10MEN1
Cetostearyl Alcohol SCHEMBL28027646 0.88 LMNA (0.59) TSHRALDH1A1LMNAHSD17B10MEN1
1-Hexanol SCHEMBL27745635 0.88 LMNA (0.59) TSHRALDH1A1LMNAHSD17B10MEN1
Myristyl Alcohol SCHEMBL27503558 0.88 LMNA (0.59) TSHRALDH1A1LMNAHSD17B10MEN1

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
WO-2006127831-A1 MISCIBLE HIGH TG POLYESTER/POLYMER BLEND COMPOSITIONS AND FILMS FORMED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2006-11-30 WO disclosed