SCHEMBL3415653

SCHEMBL3415653

Cc1cccc(C(CC2CO2)(CC2CO2)CC2CO2)c1CC1CO1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL17164006 0.80 ALDH1A1 (0.46) ALDH1A1GLATP53CYP3A4TSHR
Ammonia Solution, Strong SCHEMBL22558012 0.79 ALDH1A1 (0.44) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL5468903 0.75 TDP1 (0.34) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL3117388 0.74 ALDH1A1 (0.41) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL4247533 0.73 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL15050578 0.70
SCHEMBL476166 0.70
SCHEMBL6122445 0.69 ALDH1A1 (0.37) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL29494170 0.68 G6PD (0.36) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL28997222 0.67 ALDH1A1 (0.41) ALDH1A1GLATSHR

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
EP-2213689-B1 Modified conjugated diene polymer and process for producing thereof ASAHI KASEI CHEMICALS CORP (JP) 2011-12-07 EP disclosed
EP-2045272-B1 MODIFIED CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING THE SAME ASAHI KASEI CHEMICALS CORP (JP) 2010-12-29 EP disclosed
EP-2213689-A1 Modified conjugated diene polymer and process for producing thereof Asahi Kasei Chemicals Corporation (JP) 2010-08-04 EP disclosed
EP-2045272-A1 MODIFIED CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING THE SAME Asahi Kasei Chemicals Corporation (JP) 2009-04-08 EP disclosed
US-5332784-A Conjugated diene, vinylaromatic copolymer ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-07-26 US disclosed
US-5115035-A Modified block copolymer of conjugated diene and vinylaromatic and a tackifier resin ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-05-19 US disclosed