Octane

Octane

SCHEMBL28779386

CCCCCCCC.OCCCC(CO)CO

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.73
ALDH1A1 P00352 3/20 0.58
TSHR P16473 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.52
CYP2D6 P10635 2/20 0.43
HTT P42858 2/20 0.43
SPHK1 Q9NYA1 1/20 0.43
GMNN O75496 1/20 0.43
POLB P06746 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 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
Dodecanol SCHEMBL27628574 0.98 LMNA (0.70) LMNAALDH1A1TSHRMEN1KMT2A
Octanol SCHEMBL28203060 0.98 LMNA (0.70) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL22462340 0.93 LMNA (0.86) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL22462342 0.93 LMNA (0.86) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL20983224 0.93 LMNA (0.86) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL4945398 0.93 LMNA (0.86) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL821835 0.93 LMNA (0.86) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL22462336 0.93 LMNA (0.86) LMNAALDH1A1TSHRMEN1KMT2A
Butyl Alcohol SCHEMBL28274167 0.92 ALDH1A1 (0.61) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL8161588 0.90 LMNA (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111164170-B Ultraviolet-curable adhesive composition, cured product thereof, and method for producing optical member using ultraviolet-curable adhesive composition 日本化药株式会社 2022-07-05 CN disclosed