SCHEMBL4458352

SCHEMBL4458352

Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHR P35869 9/20 0.61
MAPK1 P28482 2/20 0.61
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.38
TSHR P16473 5/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
CASP1 P29466 1/20 0.35
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL29432665 1.00 AHR (0.61) AHRMAPK1CYP3A4ALDH1A1TSHR
SCHEMBL29624835 0.88 AHR (0.61) AHRMAPK1CYP3A4ALDH1A1TSHR
SCHEMBL4449767 0.88 AHR (0.61) AHRMAPK1CYP3A4ALDH1A1TSHR
SCHEMBL2934408 0.85 HSD17B10 (0.52) AHRMAPK1CYP3A4ALDH1A1TSHR
SCHEMBL4446978 0.83 AHR (0.55) AHRMAPK1CYP3A4ALDH1A1TSHR
SCHEMBL30035407 0.83 AHR (0.55) AHRMAPK1CYP3A4ALDH1A1TSHR
2,2',4,4',5,5'-Hexachlorobiphenyl SCHEMBL29367365 0.77 AHR (1.00) AHRMAPK1CYP3A4ALDH1A1TSHR
2,2',4,4',5,5'-Hexachlorobiphenyl SCHEMBL258301 0.77 AHR (1.00) AHRMAPK1CYP3A4ALDH1A1TSHR
SCHEMBL4445023 0.77 AHR (0.61) AHRMAPK1CYP3A4ALDH1A1TSHR
SCHEMBL438003 0.77 CYP3A4 (0.56) AHRMAPK1CYP3A4ALDH1A1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3881907-A1 METHOD FOR DECHLORINATION OF ONE OR MORE AROMATIC ORGANOCHLORINE COMPOUND(S) CONTAINED IN AN OIL OR FORMING SAID OIL - ASSOCIATED ELECTRICAL/ELECTRONIC DEVICE AND INSTALLATION Université de Lille (FR) 2021-09-22 EP claimed
EP-3881907-A1 METHOD FOR DECHLORINATION OF ONE OR MORE AROMATIC ORGANOCHLORINE COMPOUND(S) CONTAINED IN AN OIL OR FORMING SAID OIL - ASSOCIATED ELECTRICAL/ELECTRONIC DEVICE AND INSTALLATION Université de Lille (FR) 2021-09-22 EP disclosed
US-20090269857-A1 Instruments for detecting low-molecular weight substance FUJIKURA KASEI CO., LTD. (JP) 2009-10-29 US disclosed
US-20050148097-A1 Instruments for detecting low-molecular weight substance ENBIOTEC LABORATORIES C., LTD. (JP) 2005-07-07 US disclosed
EP-1489420-A1 INSTRUMENTS FOR DETECTING LOW-MOLECULAR WEIGHT SUBSTANCE Enbiotec Laboratories Co., Ltd. (JP) 2004-12-22 EP disclosed