SCHEMBL3980640

SCHEMBL3980640

CCCCCCC(=O)OBr

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.61
LMNA P02545 2/20 0.57
PAM P19021 2/20 0.55
CES2 O00748 3/20 0.54
CES1 P23141 3/20 0.54
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
GPR84 Q9NQS5 6/20 0.52
PPARG P37231 6/20 0.52
PPARD Q03181 6/20 0.52
PPARA Q07869 6/20 0.52
HDAC11 Q96DB2 5/20 0.52
TSHR P16473 4/20 0.52
ALDH1A1 P00352 2/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
PTPN1 P18031 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52

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
SCHEMBL27778361 1.00 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL28126216 1.00 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL27771053 1.00 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL27640216 1.00 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL2734310 1.00 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL329071 1.00 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL740818 1.00 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL8645409 1.00 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL4288902 1.00 DGKA (0.61) DGKALMNAPAMCES2CES1
SCHEMBL28057936 1.00 DGKA (0.61) DGKALMNAPAMCES2CES1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108866006-A A kind of preparation method and applications of anti-buprenorphine hybridoma cell strain, antibody 杭州隆基生物技术有限公司 2018-11-23 CN claimed
CN-108047071-A A kind of Cathinone artificial semiantigen, artificial antigen and its preparation method and application 杭州同舟生物技术有限公司 2018-05-18 CN claimed
CN-110325517-A Volution compound and its application 南京明德新药研发有限公司 2019-10-11 CN disclosed
CN-107001371-B Oxipurinol class compound and its application 广东众生睿创生物科技有限公司 2019-07-05 CN disclosed
CN-108866006-A A kind of preparation method and applications of anti-buprenorphine hybridoma cell strain, antibody 杭州隆基生物技术有限公司 2018-11-23 CN disclosed
CN-108752210-A A kind of preparation method of germacrone ketobutyric acid 东南大学成贤学院 2018-11-06 CN disclosed
CN-108659000-A Heterocyclic compound and preparation method thereof 成都海创药业有限公司 2018-10-16 CN disclosed
CN-108348525-A The medical usage of oxipurinol class compound 广东众生药业股份有限公司 2018-07-31 CN disclosed
CN-108333349-A A kind of 4- methyl methcathinone artificial antigen and preparation method and utilization 浙江东方基因生物制品股份有限公司 2018-07-27 CN disclosed
CN-108047071-A A kind of Cathinone artificial semiantigen, artificial antigen and its preparation method and application 杭州同舟生物技术有限公司 2018-05-18 CN disclosed
CN-107428705-A Histone deacetylase inhibitor and preparation method and application thereof 广东众生药业股份有限公司 2017-12-01 CN disclosed
WO-2009049476-A1 PROCESS FOR THE MANUFACTURE OF (+)-BIOTIN DSM IP ASSETS B.V. (NL) 2009-04-23 WO disclosed
EP-0789577-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2003-03-12 EP disclosed
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 CN disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US disclosed
EP-0266949-B1 TETRAHYDROISOQUINOLIN-2-YL DERIVATIVES OF CARBOXYLIC ACIDS AS THROMBOXANE A2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-11-28 EP disclosed
US-4812573-A ARYLSULFONAMIDE SUBSTITUTED TETRAHYDROISOQUINOLINYLALKANOIC ACIDS AS THROMBOXANE A2 ANTAGONISTS SMITHKLINE & FRENCH LABORATORIES, LTD. (GB) 1989-03-14 US disclosed
EP-0266949-A1 Tetrahydroisoquinolin-2-yl derivatives of carboxylic acids as thromboxane A2 antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-05-11 EP disclosed
WO-1988003137-A1 TETRAHYDROISOQUINOLIN-2-YL DERIVATIVES OF CARBOXYLIC ACIDS AS THROMBOXANE A2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-05-05 WO disclosed
US-4464535-A Process for the preparation of eburnamonine derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-08-07 US disclosed