SCHEMBL4458291

SCHEMBL4458291

Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.48
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP1A2 P05177 2/20 0.42
TP53 P04637 1/20 0.38
CYP1B1 Q16678 1/20 0.37
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
IKBKB O14920 1/20 0.35
MAP3K14 Q99558 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL30384693 1.00 AHR (0.48) AHRLMNACYP2A6CYP1A2TP53
SCHEMBL28874041 0.80 ESR2 (0.46) LMNATP53ALDH1A1MAPK1HSD17B10
SCHEMBL4453333 0.79 AHR (0.61) AHRLMNACYP2A6CYP1A2TP53
SCHEMBL29369441 0.79 AHR (0.44) AHRTP53CYP1B1ALDH1A1MAPK1
SCHEMBL29368088 0.79 CYP2A6 (0.44) AHRLMNACYP2A6CYP1A2PTGS2
SCHEMBL4452927 0.79 AHR (0.44) AHRTP53CYP1B1ALDH1A1MAPK1
SCHEMBL3269166 0.79 CYP2A6 (0.44) AHRLMNACYP2A6CYP1A2PTGS2
SCHEMBL9936324 0.78 ALDH1A1 (0.41) AHRPTGS2ALDH1A1MAPK1CYP3A4
SCHEMBL29776918 0.77 AHR (0.62) AHRTP53CYP1B1ALDH1A1IKBKB
SCHEMBL463759 0.77 AHR (0.62) AHRTP53CYP1B1ALDH1A1IKBKB

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 6 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-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