SCHEMBL4449577

SCHEMBL4449577

Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)cc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 12/20 0.56
CYP1B1 Q16678 1/20 0.54
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPK1 P28482 2/20 0.35
CES1 P23141 1/20 0.34
TSHR P16473 2/20 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
SCHEMBL30226161 1.00 AHR (0.56) AHRCYP1B1ALDH1A1CYP3A4HPGD
SCHEMBL4452927 0.84 AHR (0.44) AHRCYP1B1ALDH1A1CYP3A4HPGD
SCHEMBL29369441 0.84 AHR (0.44) AHRCYP1B1ALDH1A1CYP3A4HPGD
SCHEMBL29351484 0.82 AHR (0.62) AHRCYP1B1ALDH1A1CYP3A4HSD17B10
SCHEMBL29776918 0.82 AHR (0.62) AHRCYP1B1ALDH1A1CYP3A4HSD17B10
SCHEMBL463759 0.82 AHR (0.62) AHRCYP1B1ALDH1A1CYP3A4HSD17B10
SCHEMBL23827189 0.80 AHR (0.65) AHRCYP1B1ALDH1A1CYP3A4HPGD
SCHEMBL4453583 0.79 AHR (0.64) AHRCYP1B1ALDH1A1CYP3A4HPGD
SCHEMBL23827191 0.78 CYP3A4 (0.47) AHRCYP1B1ALDH1A1CYP3A4HPGD
SCHEMBL30542156 0.78 CYP3A4 (0.47) AHRCYP1B1ALDH1A1CYP3A4HPGD

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