Hexane

Hexane

SCHEMBL4909176

CCCCCC.OCC(O)CO

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.60
ALDH1A1 P00352 4/20 0.60
USP2 O75604 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
DUSP3 P51452 1/20 0.48
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2D6 P10635 2/20 0.46
SPHK1 Q9NYA1 1/20 0.46
GMNN O75496 1/20 0.46
POLB P06746 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
Nonane SCHEMBL11639112 0.97 USP2 (0.60) LMNAALDH1A1USP2SMN1; SMN2MEN1
Dodecane SCHEMBL16652552 0.97 USP2 (0.60) LMNAALDH1A1USP2SMN1; SMN2MEN1
Glycerin SCHEMBL28505432 0.97 USP2 (0.60) LMNAALDH1A1USP2SMN1; SMN2MEN1
Octane SCHEMBL3691269 0.97 USP2 (0.60) LMNAALDH1A1USP2SMN1; SMN2MEN1
Heptane SCHEMBL8025180 0.97 USP2 (0.60) LMNAALDH1A1USP2SMN1; SMN2MEN1
Hexadecane SCHEMBL4476638 0.97 USP2 (0.60) LMNAALDH1A1USP2SMN1; SMN2MEN1
Octane SCHEMBL2362539 0.97 USP2 (0.60) LMNAALDH1A1USP2SMN1; SMN2MEN1
Dodecane SCHEMBL4233135 0.97 USP2 (0.60) LMNAALDH1A1USP2SMN1; SMN2MEN1
Octane SCHEMBL2522455 0.97 USP2 (0.60) LMNAALDH1A1USP2SMN1; SMN2MEN1
Decane SCHEMBL27510417 0.97 USP2 (0.60) LMNAALDH1A1USP2SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116987158-A Functional protein with antioxidant activity and application thereof 南开大学 2023-11-03 CN claimed
CN-116987158-B Protein with antioxidant activity and application thereof 南开大学 2024-07-16 CN disclosed
CN-116987158-A Functional protein with antioxidant activity and application thereof 南开大学 2023-11-03 CN disclosed
CN-110078880-A Isocyanate-crosslinked polyethylene glycol decanedioic acid glyceride bioelastomer and its preparation method and application 华东理工大学 2019-08-02 CN disclosed
CN-109666036-A A kind of supersonically preparation method of fluorescence copper halogen cluster compound 中国科学院大连化学物理研究所 2019-04-23 CN disclosed
CN-105463035-A Method for removing free fatty acid WILMAR (SHANGHAI) BIOTECHNOLOGY R & D CENTER CO LTD 2016-04-06 CN disclosed
US-20080206178-A1 Viscoelastic cosmetic composition for styling and conditioning of human hair AZIZOVA MARINA 2008-08-28 US disclosed
WO-2005053627-A1 VISCOELASTIC COSMETIC COMPOSITION FOR STYLING AND CONDITIONING OF HUMAN HAIR ZOTOS INTERNATIONAL, INC. (US) 2005-06-16 WO disclosed
US-20050118120-A1 Viscoelastic cosmetic composition for styling and conditioning of human hair ZOTOS INTERNATIONAL, INC. 2005-06-02 US disclosed
US-5962003-A Process for the preparation of polyurethane microcapsules containing monocrotophos COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1999-10-05 US disclosed