SCHEMBL4094781

SCHEMBL4094781

O=C(OO)C(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 11/20 0.62
CES1 P23141 10/20 0.62
TSHR P16473 3/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
PARP1 P09874 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
F2 P00734 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CA12 O43570 1/20 0.44

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
SCHEMBL27957931 0.98 CES2 (0.59) CES2CES1TSHRMAPTPOLB
SCHEMBL27795643 0.82 MAPT (0.62) CES2CES1TSHRMAPTPOLB
SCHEMBL9750434 0.82 CES2 (0.65) CES2CES1TSHRMAPTPOLB
Benzil SCHEMBL10996187 0.81 CES2 (0.93) CES2CES1TSHRMAPTPOLB
SCHEMBL1450205 0.79 CES2 (0.54) CES2CES1TSHRMAPTPOLB
SCHEMBL11648519 0.78 CES2 (0.59) CES2CES1TSHRMAPTPOLB
SCHEMBL2555045 0.78 CES2 (0.59) CES2CES1TSHRMAPTPOLB
SCHEMBL20040504 0.78 CES2 (0.59) CES2CES1TSHRMAPTPOLB
SCHEMBL42428 0.78 TSHR (0.60) CES2CES1TSHRMAPTCYP3A4
Benzene SCHEMBL28195988 0.78 TSHR (0.60) CES2CES1TSHRMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864085-A A kind of application of compound as electrochemical luminescence material 江汉大学 2018-11-23 CN claimed
CN-105885744-A Production formula of non-setting adhesive 江苏雅斯特实业有限公司 2016-08-24 CN claimed
CN-104109410-B A kind of self-cleaning type reflex reflection road signs coating and its preparation method WEICHIDUAN TRAFFIC FACILITY ENGINEERING CO., LTD., BAODING (CN) 2016-06-01 CN claimed
CN-104031202-B Polyacrylic acid ink resin and preparation method thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-05-25 CN claimed
CN-104759118-B A kind of preparation method of organic high molecular polymer coating oil-water separating net HEBEI UNIVERSITY OF TECHNOLOGY (CN) 2016-05-11 CN claimed
CN-104126578-B A kind of AVM auxiliary agent and preparation method WELL (FUJIAN) CO., LTD. (CN) 2016-05-11 CN claimed
CN-103946306-B dual cure system AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2016-05-04 CN claimed
CN-104177802-A Radiation-resistant sticking film for computer screen WUXI SANDI SPECIAL POLYMER MATERIAL CO LTD 2014-12-03 CN claimed
CN-102558407-B Chlorinated polyvinyl chloride and preparation method and application thereof UNIV EAST CHINA SCIENCE & TECH 2014-11-26 CN claimed
CN-104162450-A Preparation method for polymer brush supported TEMPO catalyst system UNIV HEBEI SCIENCE & TECH 2014-11-26 CN claimed
CN-102952412-A High temperature resistant organic plastic alloy material and preparation method thereof WUXI CHANG AN TONGYONG METAL PRODUCTS CO LTD 2013-03-06 CN claimed
CN-102921393-A Granular three-dimensional ordered macroporous chelating resin preparation method UNIV HEBEI TECHNOLOGY 2013-02-13 CN claimed
CN-102492173-B Halloysite with modified surface and preparation method for halloysite UNIV SOOCHOW 2013-02-13 CN claimed
CN-102898597-A Composite ink vehicle for intaglio printing CHINESE ACAD INST CHEMISTRY 2013-01-30 CN claimed
CN-102906193-A Toughened polylactic acid containing polyhydroxyalkanoate METABOLIX INC 2013-01-30 CN claimed
CN-102903953-A Preparation method of lithium ion battery gel electrolyte and lithium ion battery containing gel electrolyte AMPEREX TECHNOLOGY LTD 2013-01-30 CN claimed
CN-102898659-A Polyacrylate-polyurethane composite ink vehicle CHINESE ACAD INST CHEMISTRY 2013-01-30 CN claimed
CN-102881892-A Method for preparing lithium-rich solid solution cathode material through oxidation/sintering UNIV FUJIAN 2013-01-16 CN claimed
CN-102881889-A Method for preparing lithium-enriched solid solution cathode material by two-section direct temperature-rise sintering method UNIV FUJIAN 2013-01-16 CN claimed
EP-0315786-A1 Process for the preparation of a d-alfa-amino acid from the corresponding alfa-keto acid STAMICARBON B.V. (NL) 1989-05-17 EP claimed