Octanol

Octanol

SCHEMBL28864643

C=C(C#N)C(=O)O.CCCCCCCCO

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38

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 SCHEMBL28172710 0.92 ALDH1A1 (0.44) TSHRALDH1A1LMNAHSD17B10MEN1
Octane SCHEMBL28269917 0.92 TSHR (0.45) TSHRALDH1A1HSD17B10MEN1KMT2A
Hexadecane SCHEMBL27865034 0.92 TSHR (0.45) TSHRALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4579189 0.90 GPR84 (0.41) TSHRALDH1A1SMN1; SMN2GPR84FFAR1
SCHEMBL4581426 0.90 GPR84 (0.41) TSHRALDH1A1SMN1; SMN2GPR84FFAR1
SCHEMBL25260910 0.90 GPR84 (0.41) TSHRALDH1A1SMN1; SMN2GPR84FFAR1
SCHEMBL4581829 0.90 GPR84 (0.41) TSHRALDH1A1SMN1; SMN2GPR84FFAR1
1,5-Pentanediol SCHEMBL25273701 0.90 GPR84 (0.41) TSHRALDH1A1SMN1; SMN2GPR84FFAR1
SCHEMBL1982601 0.90 GPR84 (0.41) TSHRALDH1A1SMN1; SMN2GPR84FFAR1
1,6-Hexanediol SCHEMBL1982872 0.90 GPR84 (0.41) TSHRALDH1A1SMN1; SMN2GPR84FFAR1

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-108601610-A Spinal column protection device 钜旺生技股份有限公司 2018-09-28 CN disclosed