SCHEMBL3789028

SCHEMBL3789028

CCOC(=O)C(C(Cl)Cl)C(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
TRPA1 O75762 1/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PIN1 Q13526 1/20 0.35
CYP2C9 P11712 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL7897670 0.86 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL103131 0.79
SCHEMBL28436976 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28563719 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL288128 0.78
SCHEMBL1444159 0.78 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL2858201 0.78 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28321001 0.77 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL604352 0.76
SCHEMBL17617672 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112074522-B Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 深圳信立泰药业股份有限公司 2022-08-26 CN disclosed
CN-112074522-A Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 深圳信立泰药业股份有限公司 2020-12-11 CN disclosed
CN-110078763-A A kind of chirality phosphine oxide compound and its synthetic method and application 华东师范大学 2019-08-02 CN disclosed
CN-106632740-B It is a kind of for the photoinitiator of photoresist and its preparation and application 江苏博砚电子科技有限公司 2018-09-18 CN disclosed
CN-106632740-A Photoinitiator for photoresist material and preparation and application of photoinitiator 江苏博砚电子科技有限公司 2017-05-10 CN disclosed
CN-101321767-B Reagent for specific detection of peroxynitrite VERSITECH LTD. (CN) 2012-02-08 CN disclosed
CN-1930180-B L-saccharide glucose lipid A analogue SANKYO CO 2010-05-26 CN disclosed
US-7705040-B2 compositions which specifically react with peroxynitrite rather than other reactive oxygen species and reactive nitrogen species; for measuring peroxynitrite in a sample; high-throughput screening fluorescent methods for detecting peroxynitrite THE UNIVERSITY OF HONG KONG (CN) 2010-04-27 US disclosed
CN-101321767-A Reagent for highly specific detection of peroxynitrite UNIV HONG KONG (HK) 2008-12-10 CN disclosed
EP-1943254-A1 REAGENTS FOR HIGHLY SPECIFIC DETECTION OF PEROXYNITRITE The University of Hong Kong (CN) 2008-07-16 EP disclosed
WO-2007041923-A1 REAGENTS FOR HIGHLY SPECIFIC DETECTION OF PEROXYNITRITE THE UNIVERSITY OF HONG KONG (CN) 2007-04-19 WO disclosed
US-20070082403-A1 Reagents for highly specific detection of peroxynitrite VERSITECH LIMITED (HK) 2007-04-12 US disclosed
CN-1930180-A L-saccharide glucose lipid a analogue SANKYO CO (JP) 2007-03-14 CN disclosed
CN-1610666-A Benzamidine derivative SANKYO CO (JP) 2005-04-27 CN disclosed