Hexane

Hexane

SCHEMBL27317543

CCCCCC.O=S(=O)(O)CCO

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
FAAH O00519 2/20 0.42
EPHX2 P34913 1/20 0.42
TP53 P04637 1/20 0.41
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
APP P05067 1/20 0.40
NAAA Q02083 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
PPARA Q07869 2/20 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
Dodecane SCHEMBL28288842 0.97 LMNA (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
Octane SCHEMBL1843443 0.97 LMNA (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
Decane SCHEMBL27812031 0.97 LMNA (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
Pentane SCHEMBL8915985 0.95 APP (0.46) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
Cetostearyl Alcohol SCHEMBL28094787 0.93 LMNA (0.59) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
Pentane SCHEMBL8905837 0.92 APP (0.44) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL27864916 0.87 FAAH (0.43) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL27566715 0.87 FAAH (0.43) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL27341930 0.87 FAAH (0.43) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
Dodecylamine SCHEMBL27503879 0.87 DNM1 (0.52) LMNAALDH1A1HSD17B10MEN1KMT2A

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
CN-104955585-B Preservative application member 开尔弗森2200有限公司 2018-04-13 CN disclosed
CN-104955585-A ANTISEPTIC APPLICATOR CAREFUSION 2200 INC 2015-09-30 CN disclosed
CN-1047517-C oral hygiene composition ANBEE CO (GB) 1999-12-22 CN disclosed
CN-1101254-A Novel compositions SMITHKLINE BEECHAM PLC (GB) 1995-04-12 CN disclosed