SCHEMBL5686109

SCHEMBL5686109

N#Cc1c(CO)cccc1Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.44
SLC6A4 P31645 3/20 0.42
RIPK1 Q13546 1/20 0.42
SLC6A2 P23975 1/20 0.42
TTR P02766 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.40
HSD11B1 P28845 1/20 0.40
MAPK14 Q16539 1/20 0.39
DPP4 P27487 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL10689724 0.88 SCN9A (0.41) SLC6A4MEN1KMT2ACYP1A2CYP2C19
SCHEMBL22904268 0.84 HRH1 (0.44) HRH1SLC6A4RIPK1SLC6A2MEN1
SCHEMBL17090701 0.81 MAPT (0.47) HRH1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL10769994 0.79 MEN1 (0.45) HRH1SLC6A4RIPK1SLC6A2MEN1
SCHEMBL194417 0.79 HRH1 (0.60) HRH1SLC6A4RIPK1SLC6A2TTR
SCHEMBL27930527 0.78 MAPT (0.43) TTRMEN1KMT2ACYP1A2CYP2C19
SCHEMBL7673696 0.78 NPC1 (0.48) MEN1KMT2AALDH1A1CYP2C9MAPT
SCHEMBL16245360 0.78 HRH1 (0.50) HRH1SLC6A4RIPK1SLC6A2TTR
SCHEMBL22904174 0.77 ALDH1A1 (0.43) HRH1SLC6A4MEN1KMT2AALDH1A1
SCHEMBL10379455 0.77 TSHR (0.48) TTRMEN1KMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0176387-B1 PYRROLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS PESTICIDES ROUSSEL-UCLAF (FR) 1990-11-22 EP claimed
EP-0003242-A1 Process for the preparation of alpha-cyanobenzyl esters SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-08-08 EP claimed
JP-59059196-A None JP disclosed
CN-119464253-A Preparation method of cypermethrin degradation esterase 四川农业大学 2025-02-18 CN disclosed
EP-0832873-B1 Preparation of cyclopropane esters SYNGENTA LTD (GB) 2006-03-08 EP disclosed
WO-2003053905-A1 A PROCESS FOR THE PRODUCTION OF 1R PYRETHROID ESTERS SYNGENTA LIMITED (GB) 2003-07-03 WO disclosed
EP-1303474-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE PYRETHROID INSECTICIDES Syngenta Limited (GB) 2003-04-23 EP disclosed
WO-2002006202-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE PYRETHROID INSECTICIDES SYNGENTA LIMITED (GB) 2002-01-24 WO disclosed
JP-2000159739-A RECOVERY OF CATALYST SUMITOMO CHEM CO LTD 2000-06-13 JP disclosed
CN-1047382-C Novel pyrethroid composition FMC CO LTD (US) 1999-12-15 CN disclosed
EP-0700375-B1 PREPARATION OF CYCLOPROPANE ESTERS ZENECA LTD (GB) 1998-12-23 EP disclosed
US-4560515-A NON-SYMMETRICAL KETENE REACTED WITH A-HYDROXYNITRILE; TERTUARY AMINE CATALYST SHELL OIL COMPANY (US) 1985-12-24 US disclosed
US-4554102-A Cyanohydrination catalyst comprising non-crystalline or amorphous dipeptide SHELL OIL COMPANY (US) 1985-11-19 US disclosed
EP-0155819-A2 Improvements relating to pesticides BTG INTERNATIONAL LIMITED (GB) 1985-09-25 EP disclosed
EP-0132392-A2 Asymmetric synthesis of alpha-substituted-alpha-cyanomethyl alcohols ICI AUSTRALIA LIMITED (AU) 1985-01-30 EP disclosed
US-4464391-A Pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-08-07 US disclosed
JP-S5959196-A BIOCHEMICAL PREPARATION OF OPTICAL ACTIVE ALPHA-CYANO-3-PHENOXYBENZYL ALCOHOL SUMITOMO CHEM CO LTD 1984-04-04 JP disclosed
EP-0080827-A2 Method for biotechnologically preparing (S)-(-)-alpha-cyano-3-phenoxybenzyl alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-06-08 EP disclosed
EP-0002077-A1 Esters of substituted cyclopropanecarboxylic acids and process for the preparation thereof SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-05-30 EP disclosed
JP-S05959196-A 0001-01-01 JP disclosed