Hexane

Hexane

SCHEMBL4267140

CCCCCC.CCOCC.CO

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
THRB P10828 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
CES2 O00748 2/20 0.39
CES1 P23141 1/20 0.38
SLC22A1 O15245 2/20 0.37
SLC22A2 O15244 1/20 0.37

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
Hexane SCHEMBL5415595 0.97 TSHR (0.44) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Pentane SCHEMBL27609734 0.93 TSHR (0.50) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL420404 0.93 TSHR (0.54) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL11106986 0.93 TSHR (0.54) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL2165324 0.93 TSHR (0.54) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL7917492 0.93 TSHR (0.54) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL7375762 0.93 TSHR (0.54) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL4268972 0.93 TSHR (0.54) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL9730168 0.93 TSHR (0.54) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Hexane SCHEMBL14814561 0.93 TSHR (0.54) TSHRTHRBSMN1; SMN2LMNAALDH1A1

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
WO-2013111393-A1 HAIR GROWING AGENT 学校法人東海大学 (JP) 2013-08-01 WO disclosed
US-20090210956-A1 COMPOSITION AND METHOD FOR CLUSTERIN-MEDIATED STEM CELL THERAPY FOR TREATMENT OF ATHEROSCLEROSIS AND HEART FAILURE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-08-20 US disclosed
US-7524490-B2 Clusterin-mediated inhibition of apoptosis via stromal bone marrow cell delivery to a cardiac site BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-04-28 US disclosed
WO-2006053130-A2 COMPOSITION AND METHOD FOR CLUSTERIN-MEDIATED STEM CELL THERAPY FOR TREATMENT OF ATHEROSCLEROSIS AND HEART FAILURE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-18 WO disclosed
US-20060099194-A1 Composition and method for clusterin-mediated stem cell therapy for treatment of atherosclerosis and heart failure BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-11 US disclosed
US-5620987-A Amino acid derivatives HOFFMANN-LA ROCHE INC. (US) 1997-04-15 US disclosed