1-Hexanol

1-Hexanol

SCHEMBL8760951

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

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ACHE P22303 6/20 0.39
CTSK P43235 1/20 0.36
FAAH O00519 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SOAT1 P35610 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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-Pentanol SCHEMBL27646802 0.98 SMN1; SMN2 (0.48) LMNAALDH1A1HSD17B10MEN1KMT2A
Butyl Alcohol SCHEMBL6493061 0.92 ALDH1A1 (0.46) LMNAALDH1A1HSD17B10MEN1KMT2A
Heptane SCHEMBL28124413 0.92 CES2 (0.41) LMNAALDH1A1HSD17B10MEN1KMT2A
Octane SCHEMBL6906045 0.92 CES2 (0.41) LMNAALDH1A1HSD17B10MEN1KMT2A
Hexane SCHEMBL27775992 0.90 HSD17B10 (0.42) LMNAALDH1A1HSD17B10MEN1KMT2A
1,3-Propanediol SCHEMBL22733724 0.86 TDP1 (0.47) LMNAHSD17B10MEN1KMT2ATDP1
Propanol SCHEMBL27677791 0.86 LMNA (0.42) LMNAALDH1A1HSD17B10KMT2ATSHR
Dodecanoate SCHEMBL8811360 0.81 GPR84 (0.61) LMNAALDH1A1HSD17B10MEN1KMT2A
Alcohol SCHEMBL6545350 0.81 ALOX15 (0.42) LMNAALDH1A1HSD17B10MEN1KMT2A
Butane SCHEMBL27617980 0.81 LMNA (0.45) LMNAALDH1A1HSD17B10KMT2ATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556216-B1 PHOSPHORIC ACID ESTERS AND THEIR USE IN THE PREPARATION OF BIOCOMPATIBLE SURFACES BIOCOMPATIBLES LTD (GB) 1997-06-04 EP disclosed
US-5599587-A Phosphoric acid esters and their use in the preparation of biocompatible surfaces BIOCOMPATIBLES LIMITED (GB) 1997-02-04 US disclosed
EP-0556216-A1 PHOSPHORIC ACID ESTERS AND THEIR USE IN THE PREPARATION OF BIOCOMPATIBLE SURFACES. BIOCOMPATIBLES LTD (GB) 1993-08-25 EP disclosed
WO-1992007858-A1 PHOSPHORIC ACID ESTERS AND THEIR USE IN THE PREPARATION OF BIOCOMPATIBLE SURFACES BIOCOMPATIBLES LIMITED (GB) 1992-05-14 WO disclosed