SCHEMBL6528610

SCHEMBL6528610

O=C(c1ccccc1)C(O)(OOCl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.47
SRC P12931 1/20 0.43
CYP1A2 P05177 1/20 0.38
TSHR P16473 5/20 0.37
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
HSD17B10 Q99714 2/20 0.37
F2 P00734 1/20 0.36
LMNA P02545 1/20 0.36
CES2 O00748 3/20 0.35
DAO P14920 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
KCNN4 O15554 1/20 0.35
MAPK1 P28482 2/20 0.34
HIF1A Q16665 2/20 0.34
TRPA1 O75762 1/20 0.34
GSK3B P49841 1/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11101775 0.81 CES1 (0.53) CES1SRCCYP1A2TSHRALDH1A1
SCHEMBL621110 0.79 CES1 (0.52) CES1SRCCYP1A2TSHRALDH1A1
SCHEMBL11072129 0.79 CES1 (0.53) CES1SRCTSHRALDH1A1TDP1
SCHEMBL277653 0.78 CES1 (0.65) CES1SRCTSHRALDH1A1TDP1
SCHEMBL16280591 0.78 CES1 (0.50) CES1SRCCYP1A2TSHRALDH1A1
SCHEMBL459656 0.76 CES1 (0.49) CES1SRCCYP1A2TSHRALDH1A1
Methoxymethane SCHEMBL36163 0.76 CES1 (0.62) CES1SRCTSHRALDH1A1TDP1
SCHEMBL10802236 0.76 CES1 (0.49) CES1SRCCYP1A2TSHRALDH1A1
SCHEMBL173918 0.75 CES1 (0.51) CES1SRCCYP1A2TSHRALDH1A1
SCHEMBL8023983 0.75 CES1 (0.47) CES1SRCCYP1A2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4294791-A1 HERBICIDAL CYCLIC AMIDES N-SUBSTITUTED WITH A HALOALKYLSULFONYLANILIDE GROUP FMC CORPORATION (US) 2023-12-27 EP disclosed
WO-2020117724-A1 USE OF PEROXYACIDS/HYDROGEN PEROXIDE FOR REMOVAL OF METAL COMPONENTS FROM PETROLEUM AND HYDROCARBON STREAMS FOR DOWNSTREAM APPLICATIONS ECOLAB USA INC. (US) 2020-06-11 WO disclosed
CN-105607426-B Polymer, chemical amplification negative resist composition and pattern forming method SHIN ETSU CHEMICAL COMPANY (JP) 2019-11-01 CN disclosed
CN-109071496-A Isoquinolyl triazolone compound 武田药品有限公司 2018-12-21 CN disclosed
CN-108884020-A AMINO ACID AND PEPTIDE CONJUGATES AND CONJUGATION PROCESS 奥克兰联合服务有限公司 2018-11-23 CN disclosed
CN-108349960-A New nostoc element compound and conjugate, their preparation and their therapeutical uses 赛诺菲 2018-07-31 CN disclosed
CN-107108519-A Process for preparing ASK1 inhibitors 吉利德科学公司 2017-08-29 CN disclosed
CN-103917527-B Dibasic 5 fluoropyrimidine 拜耳知识产权有限责任公司 2017-05-31 CN disclosed
CN-106061949-A 6,7-trans cephalosporin-based probes for detecting bacteria expressing a metallo-beta-lactamase 小利兰·斯坦福大学理事会 2016-10-26 CN disclosed
CN-103396415-B Novel substituted imidazoquinoline compounds 4SC股份有限公司 2016-08-10 CN disclosed
CN-1049846-A Glutarimide with weeding activity ROHM & HAAS (US) 1991-03-13 CN disclosed
EP-0409413-A2 Diaryl ether heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP disclosed
EP-0409414-A1 Diaryl ether cycloalkanes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP disclosed
EP-0409412-A2 Diaryl ether cyclic ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP disclosed
EP-0375368-A2 Alcohol and ether derivatives ZENECA LIMITED (GB) 1990-06-27 EP disclosed
EP-0375452-A2 Cycloalkane derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed
EP-0375457-A2 Cyclic ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP disclosed
CN-86105964-A Dihydrobenzo [ b ] thiophenes and formulations thereof for use as antifungal agents 1987-03-11 CN disclosed