SCHEMBL637036

SCHEMBL637036

C(OCC1CO1)C1CO1.CCS

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
TSHR P16473 6/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 10/20 0.54
TDP1 Q9NUW8 3/20 0.54
GLA P06280 1/20 0.36
TP53 P04637 4/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32

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
1-Propanethiol SCHEMBL635349 0.92 SMN1; SMN2 (0.61) SMN1; SMN2TSHRMAPK1ALDH1A1TDP1
Propane SCHEMBL29201 0.89 SMN1; SMN2 (0.62) SMN1; SMN2TSHRMAPK1ALDH1A1TDP1
SCHEMBL636901 0.89 TSHR (0.59) SMN1; SMN2TSHRMAPK1ALDH1A1TDP1
Butane SCHEMBL150394 0.86 SMN1; SMN2 (0.67) SMN1; SMN2TSHRMAPK1ALDH1A1TDP1
Propane SCHEMBL8349869 0.86 SMN1; SMN2 (0.60) SMN1; SMN2TSHRMAPK1ALDH1A1TDP1
Ethane SCHEMBL216341 0.86 TSHR (0.62) SMN1; SMN2TSHRMAPK1ALDH1A1TDP1
SCHEMBL2933671 0.86
SCHEMBL2933673 0.86
SCHEMBL15245 0.86
SCHEMBL4623846 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1775315-B1 POLYMERIZABLE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2012-02-22 EP disclosed
EP-1319966-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-05-26 EP disclosed
US-20080097045-A1 Polymerizable Composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-04-24 US disclosed
EP-1775315-A1 POLYMERIZABLE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-04-18 EP disclosed
US-7009031-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2006-03-07 US disclosed
US-20040024165-A1 Composition for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-02-05 US disclosed
EP-1319966-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-06-18 EP disclosed
US-4689377-A Rubber vulcanizate from alkylene sulfide and epihalohydrin NIPPON ZEON CO., LTD. (JP) 1987-08-25 US disclosed