SCHEMBL4452927

SCHEMBL4452927

Clc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 8/20 0.44
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.41
TP53 P04637 3/20 0.38
CYP1B1 Q16678 1/20 0.37
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
CYP3A4 P08684 3/20 0.35
MAPK1 P28482 1/20 0.35
CES1 P23141 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 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
SCHEMBL29369441 1.00 AHR (0.44) AHRTSHRALDH1A1TP53CYP1B1
SCHEMBL30226161 0.84 AHR (0.56) AHRTSHRALDH1A1CYP1B1CYP3A4
SCHEMBL4449577 0.84 AHR (0.56) AHRTSHRALDH1A1CYP1B1CYP3A4
SCHEMBL30387433 0.81 ALOX5 (0.44) TSHRALDH1A1TP53
SCHEMBL4453356 0.81 ALOX5 (0.44) TSHRALDH1A1TP53
SCHEMBL30384693 0.79 AHR (0.48) AHRALDH1A1TP53CYP1B1CYP3A4
SCHEMBL4458291 0.79 AHR (0.48) AHRALDH1A1TP53CYP1B1CYP3A4
SCHEMBL4454430 0.78 AHR (0.55) AHRTSHRALDH1A1TP53CYP1B1
SCHEMBL463759 0.77 AHR (0.62) AHRTSHRALDH1A1TP53CYP1B1
SCHEMBL29776918 0.77 AHR (0.62) AHRTSHRALDH1A1TP53CYP1B1

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