SCHEMBL7702480

SCHEMBL7702480

C=C(C(=O)OC)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
APLNR P35414 1/20 0.50
HDAC1 Q13547 1/20 0.50
TSHR P16473 2/20 0.49
DAO P14920 1/20 0.48
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
KMT2A Q03164 4/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGDS O60760 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL27304194 0.93 APLNR (0.46) CES2CES1APLNRHDAC1TSHR
SCHEMBL28085692 0.81 HPGD (0.50) CES2CES1APLNRHDAC1TSHR
SCHEMBL1233245 0.81 CES2 (0.65) CES2CES1APLNRHDAC1TSHR
SCHEMBL8969122 0.81 TSHR (0.51) CES2CES1TSHRRAB9ANPC1
SCHEMBL6207878 0.78 CTNNB1 (0.47) CES2CES1APLNRDAOKMT2A
SCHEMBL9510682 0.77 CES2 (0.46) CES2CES1HDAC1DAORAB9A
SCHEMBL13656482 0.77 CES2 (0.56) CES2CES1HDAC1DAORAB9A
SCHEMBL11878300 0.77 ALDH1A1 (0.45) CES2CES1TSHRDAORAB9A
SCHEMBL8157515 0.77 KMT2A (0.49) CES2CES1TSHRRAB9ANPC1
SCHEMBL28738208 0.76 KMT2A (0.67) CES2CES1APLNRHDAC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264861-B Preparation method of alkyl dithiocarbamate 河南农业大学 2022-08-26 CN disclosed
CN-113264861-A Preparation method of alkyl dithiocarbamate 河南农业大学 2021-08-17 CN disclosed
CN-109789239-A Polymer beads 泰尔茂株式会社 2019-05-21 CN disclosed
CN-107033123-B A kind of dibenzothiophene derivatives and the preparation method and application thereof 南京信息工程大学 2019-03-08 CN disclosed
CN-107033123-A A kind of dibenzothiophene derivatives and preparation method and application 南京信息工程大学 2017-08-11 CN disclosed
CN-104768939-A HIGH REFRACTIVE (META)ACRYLATE AND THE METHOD FOR PREPARING THE SAME DAELIM CHEMICAL CO LTD 2015-07-08 CN disclosed
CN-104417111-A Image formation method, decorative sheet, decorative sheet molding, process for producing in-mold molded product, in-mold molded product, and ink set FUJIFILM CORP 2015-03-18 CN disclosed
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed
CN-1067059-C Intermediate for preparing pharmaceutical active compound SMITHKLINE BEECHAM CORP (US) 2001-06-13 CN disclosed
CN-1151734-A Intermediate for prepairing a pharmaceutically active compound SMITHKLINE BEECHAM CORP (US) 1997-06-11 CN disclosed
EP-0052471-B1 PROCESS AND CATALYST FOR POLYMERIZATION OF OLEFINS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-09-18 EP disclosed
US-4526941-A Contacting alpha olefin with catalyst comprising organomagnesium compound, titanium compound, nitrogen or sulfur heterocyclic compound, slurry component and organometallic component ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-07-02 US disclosed
US-4525555-A TITANIUM COMPOUND SUPPORTED ON SOLID REACTION PRODUCT OF MAGNESIUM HALIDE, SILOXANES, ORGANIC COMPOUNDS NIPPON OIL COMPANY, LIMITED (JP) 1985-06-25 US disclosed
EP-0052471-A1 Process and catalyst for polymerization of olefins Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-05-26 EP disclosed
US-4330650-A HAVING MAGNESIUM COMPONENTS, TITANIUM COMPONENTS, ORGANOALUMINUM COMPONENTS AND HETEROCYCLIC CARBOXYLIC ESTER ELECTRON DONOR COMPONENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-05-18 US disclosed
US-4255280-A ORGANOMAGNESIUM, CHLOROSILANE, TITANIUM, ORGANOMETALLIC AND HETEROCYCLIC ESTER COMPONENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1981-03-10 US disclosed
US-4237306-A ELECTROPHILIC REACTIONS WITH ALKYL ARYL KETONES TO PRODUCE METHYL ARYL ALKANOATES EMERY INDUSTRIES, INC. (US) 1980-12-02 US disclosed
US-4172955-A REARRANGMENT OF A CINNAMALDEHYDE TO A PHENYLMALONDIALDEHYDE TETRAMETHYL DISACETAL EMERY INDUSTRIES, INC. (US) 1979-10-30 US disclosed
US-4067823-A Thallium(III) reagents supported on montmorillonite clay minerals and oxythallation processes for utilizing same EMERY INDUSTRIES, INC. (US) 1978-01-10 US disclosed
US-4012377-A ANTIMICROBIAL, PARASITICIDES GLAXO LABORATORIES LIMITED (EN) 1977-03-15 US disclosed