Pentane

Pentane

SCHEMBL8915985

CCCCC.O=S(=O)(O)CCO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
ALDH1A1 P00352 4/20 0.43
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 6/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
SLC6A6 P31641 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
FAAH O00519 2/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 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
Pentane SCHEMBL8905837 0.97 APP (0.44) APPALDH1A1EPHX2SMN1; SMN2LMNA
Hexane SCHEMBL27317543 0.95 SMN1; SMN2 (0.48) APPALDH1A1EPHX2SMN1; SMN2LMNA
Decane SCHEMBL27812031 0.92 LMNA (0.50) ALDH1A1EPHX2SMN1; SMN2LMNATSHR
Dodecane SCHEMBL28288842 0.92 LMNA (0.50) ALDH1A1EPHX2SMN1; SMN2LMNATSHR
Octane SCHEMBL1843443 0.92 LMNA (0.50) ALDH1A1EPHX2SMN1; SMN2LMNATSHR
Ethylene Glycol SCHEMBL28385507 0.90 APP (0.46) APPALDH1A1EPHX2SMN1; SMN2LMNA
Ethylene Glycol SCHEMBL10355501 0.90 APP (0.46) APPALDH1A1EPHX2SMN1; SMN2LMNA
Cetostearyl Alcohol SCHEMBL28094787 0.88 LMNA (0.59) ALDH1A1EPHX2SMN1; SMN2LMNATSHR
1,3-Propanediol SCHEMBL576856 0.87 ALDH1A1 (0.48) APPALDH1A1EPHX2SMN1; SMN2LMNA
1,4-Butanediol SCHEMBL575401 0.87 SMN1; SMN2 (0.52) APPALDH1A1EPHX2SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1791437-A Medical implants comprising biocompatible coatings BLUE MEMBRANES GMBH (DE) 2006-06-21 CN claimed
CN-100594040-C Implants comprising functional carbon coatings BLUE MEMBRANES GMBH 2010-03-17 CN disclosed
CN-100384490-C Medical implants comprising biocompatible coatings BLUE MEMBRANES GMBH (DE) 2008-04-30 CN disclosed
CN-1791437-A Medical implants comprising biocompatible coatings BLUE MEMBRANES GMBH (DE) 2006-06-21 CN disclosed
CN-1791436-A Medical implants comprising functional carbon coatings BLUE MEMBRANES GMBH (DE) 2006-06-21 CN disclosed
US-5618938-A Process for preparing stereo isomers of neurokinin receptor antagonists SANOFI (FR) 1997-04-08 US disclosed