SCHEMBL235651

SCHEMBL235651

CCCCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.51
NR5A1 Q13285 1/20 0.51
HSPA5 P11021 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
XBP1 P17861 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP2C19 P33261 5/20 0.44
CYP2C9 P11712 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TYR P14679 2/20 0.40
HSP90AA1 P07900 1/20 0.40
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL7966200 0.95 NR5A2 (0.50) NR5A2NR5A1HSPA5ALDH1A1GAA
SCHEMBL17500123 0.93 NR5A2 (0.49) NR5A2NR5A1HSPA5ALDH1A1GAA
SCHEMBL30800914 0.93 NR5A2 (0.49) NR5A2NR5A1HSPA5ALDH1A1GAA
SCHEMBL11312390 0.93 NR5A2 (0.49) NR5A2NR5A1HSPA5ALDH1A1GAA
SCHEMBL4597630 0.91 ALDH1A1 (0.48) NR5A2NR5A1HSPA5ALDH1A1GAA
SCHEMBL7116801 0.89 HSPA5 (0.47) NR5A2NR5A1HSPA5ALDH1A1GAA
SCHEMBL199679 0.89 CYP2C19 (0.53) NR5A2NR5A1MAPK1HTTNPSR1
SCHEMBL466567 0.87 CYP2C19 (0.50) NR5A2NR5A1HSPA5ALDH1A1GAA
SCHEMBL6567342 0.86 ALDH1A1 (0.45) NR5A2NR5A1HSPA5ALDH1A1GAA
SCHEMBL11803046 0.85 NR5A2 (0.48) NR5A2NR5A1HSPA5ALDH1A1GAA

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
CN-105142605-B 1, 2-alkane polyol-containing composition 大阪有机化学工业株式会社 2018-06-08 CN disclosed
US-9795549-B2 1,2-alkane polyol-containing composition OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-10-24 US disclosed
US-20160045414-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-02-18 US disclosed
EP-2985017-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION Osaka Organic Chemical Ind., Ltd. (JP) 2016-02-17 EP disclosed
CN-105142605-A 1, 2-alkane polyol-containing composition OSAKA ORGANIC CHEM IND 2015-12-09 CN disclosed
CN-102892849-A Curable powder coating composition and cured product thereof NIPPON SODA CO 2013-01-23 CN disclosed
EP-2401348-A1 LUBRICATING COMPOSITIONS CONTAINING THE REACTION PRODUCT OF AN AROMATIC AMINE AND A CARBOXYLIC FUNCTIONALISED POLYMER AND DISPERSANT The Lubrizol Corporation (US) 2012-01-04 EP disclosed
WO-2010099136-A1 LUBRICATING COMPOSITIONS CONTAINING THE REACTION PRODUCT OF AN AROMATIC AMINE AND A CARBOXYLIC FUNCTIONALISED POLYMER AND DISPERSANT THE LUBRIZOL CORPORATION (US) 2010-09-02 WO disclosed