SCHEMBL4458304

SCHEMBL4458304

Clc1cc(Cl)c(-c2ccccc2Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.63
MAPK1 P28482 2/20 0.63
CYP2A6 P11509 1/20 0.50
DPP4 P27487 1/20 0.46
PLA2G7 Q13093 1/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
PTPRC P08575 1/20 0.42
POLB P06746 2/20 0.41
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL29805295 1.00 AHR (0.63) AHRMAPK1CYP2A6DPP4PLA2G7
SCHEMBL29802156 0.83 CYP2A6 (0.67) CYP2A6DPP4PLA2G7LMNATSHR
SCHEMBL29883244 0.83 CYP2A6 (0.67) CYP2A6DPP4PLA2G7LMNATSHR
SCHEMBL671133 0.83 CYP2A6 (0.67) CYP2A6DPP4PLA2G7LMNATSHR
SCHEMBL4450490 0.80 AHR (0.57) AHRMAPK1CYP2A6TSHRIDO1
Hydrogen Sulfide SCHEMBL8574751 0.80 CYP2A6 (0.63) CYP2A6DPP4PLA2G7LMNATSHR
Ammonia Solution, Strong SCHEMBL735046 0.80 CYP2A6 (0.63) CYP2A6DPP4PLA2G7LMNATSHR
Hydrogen Sulfide SCHEMBL9195473 0.80 CYP2A6 (0.63) CYP2A6DPP4PLA2G7LMNATSHR
2,2',4,4',5,5'-Hexachlorobiphenyl SCHEMBL258301 0.80 AHR (1.00) AHRMAPK1TSHRTP53HPGD
2,2',4,4',5,5'-Hexachlorobiphenyl SCHEMBL29367365 0.80 AHR (1.00) AHRMAPK1TSHRTP53HPGD

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 12 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-20170001052-A1 METHOD FOR ACTIVATING OXYGENASE-CONTAINING COMPOSITION AND CONTAMINANT DETOXIFICATION METHOD AND DEVICE BASED ON SAME TAKAHATA ELECTRONICS CORPORATION (JP) 2017-01-05 US disclosed
US-20160279456-A1 POLYCHLORINATED BIPHENYL DETOXIFYING COMPLEX COMPOSITION AND METHOD FOR MANUFACTURING SAME NATIONAL UNIVERSITY CORPORATION YAMAGATA UNIVERSITY (JP) 2016-09-29 US 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
EP-0717844-A4 PHOTOCHEMICAL DETERMINATION OF ORGANIC COMPOUNDS UNIV UTAH STATE (US) 1999-04-14 EP disclosed
US-5536172-A Quantification of photoreactive aromatic compounds UTAH STATE UNIVERSITY (US) 1996-07-16 US disclosed
EP-0717844-A1 PHOTOCHEMICAL DETERMINATION OF ORGANIC COMPOUNDS UTAH STATE UNIVERSITY (US) 1996-06-26 EP disclosed
US-5427955-A Photochemical determination of organic compounds UTAH STATE UNIVERSITY FOUNDATION (US) 1995-06-27 US disclosed
WO-1994028411-A1 PHOTOCHEMICAL DETERMINATION OF ORGANIC COMPOUNDS UTAH STATE UNIVERSITY FOUNDATION (US) 1994-12-08 WO disclosed