SCHEMBL981893

SCHEMBL981893

CCCCCCCCc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.88
ESR1 P03372 2/20 0.88
ADRA2A P08913 2/20 0.88
ADORA3 P0DMS8 2/20 0.88
TACR2 P21452 2/20 0.88
SLC6A2 P23975 2/20 0.88
SLC6A4 P31645 2/20 0.88
SLC6A3 Q01959 2/20 0.88
ALDH1A1 P00352 2/20 0.88
HSD17B10 Q99714 2/20 0.88
KDM4E B2RXH2 1/20 0.88
LMNA P02545 1/20 0.88
SHBG P04278 1/20 0.88
TP53 P04637 1/20 0.88
CYP3A4 P08684 1/20 0.88
HSPD1 P10809 1/20 0.88
ADRB3 P13945 1/20 0.88
HTR2C P28335 1/20 0.88
HSPE1 P61604 1/20 0.88
HIF1A Q16665 1/20 0.88

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
SCHEMBL9227876 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL982001 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL28177799 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL981447 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL984111 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL982373 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL7934900 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL982418 0.98 PTGS2 (0.84) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL7253630 0.98 PTGS2 (0.84) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL19497894 0.96 PTGS2 (0.81) PTGS2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103059260-B Method for preparing thermoplastic polyurethane elastomers by polyurethane sole raw liquor isocyanate components ZHEJIANG YICHENG POLYURETHANE MFG CO LTD 2015-06-17 CN claimed
CN-103059555-B Nano-composite polyether thermoplastic polyurethane elastomer composition and preparation method thereof ZHEJIANG YICHENG POLYURETHANE MFG CO LTD 2014-12-03 CN claimed
CN-103059555-A Nano-composite polyether thermoplastic polyurethane elastomer composition and preparation method thereof ZHEJIANG YICHENG POLYURETHANE MFG CO LTD 2013-04-24 CN claimed
CN-103059260-A Method for preparing thermoplastic polyurethane elastomers by polyurethane sole raw liquor isocyanate components ZHEJIANG YICHENG POLYURETHANE MFG CO LTD 2013-04-24 CN claimed
JP-62148452-A None JP disclosed
CN-116555853-A Silver plating piece surface treatment method for improving pulling-out force by ultrasonic welding and silver plating terminal part 绵阳华丰互连技术有限公司 2023-08-08 CN disclosed
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 EP disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
EP-2792673-B1 Carbamic acid ester derivatives for the production of isocyanate and aromatic hydroxy compounds ASAHI CHEMICAL IND (JP) 2018-07-25 EP disclosed
US-9637445-B2 Isocyanate production process using composition containing carbamic acid ester and aromatic hydroxy compound, and composition for transfer and storage of carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-05-02 US disclosed
EP-2147909-B1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-12-14 EP disclosed
CN-104357101-B A kind of efficient stable biodiesel hybrid fuel 金景达(北京)环保动力科技有限公司 2016-10-26 CN disclosed
EP-0267758-A2 Alpha-substituted-propionic acid esters Chisso Corporation (JP) 1988-05-18 EP disclosed
EP-0259995-A1 Liquid crystal material IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-16 EP disclosed
US-4728458-A FERROELECTRIC AJINOMOTO CO., LTD. (JP) 1988-03-01 US disclosed
EP-0233267-A1 SMECTIC CRYSTAL PHASES. MERCK PATENT GMBH (DE) 1987-08-26 EP disclosed
JP-S62148452-A NOVEL LIQUID CRYSTAL SUBSTANCE AND LIQUID CRYSTAL COMPOSITION KANTO KAGAKU KK 1987-07-02 JP disclosed
WO-1987001717-A2 SMECTIC CYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-03-26 WO disclosed
EP-0191600-A2 Polyphenyl-based ester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1986-08-20 EP disclosed
US-4025399-A ELECTRICAL, RECORDING LAYER WITH A CONDUCTIVE AGENT, A LEUCO BASE AND A PHENOLIC RESIN CANON KABUSHIKI KAISHA (JA) 1977-05-24 US disclosed