SCHEMBL4453300

SCHEMBL4453300

Clc1cc(Cl)c(-c2c(Cl)cccc2Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.55
MAPK1 P28482 1/20 0.55
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
FGFR1 P11362 2/20 0.37
SRC P12931 2/20 0.37
NR4A2 P43354 1/20 0.36
CES1 P23141 1/20 0.34
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
PDK2 Q15119 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL29370249 1.00 AHR (0.55) AHRMAPK1CYP2A6CYP1A2TSHR
SCHEMBL7906592 0.84 TSHR (0.46) AHRMAPK1TSHRLMNAMEN1
SCHEMBL7907219 0.80 HSP90AA1 (0.49) AHRMAPK1GRIA1CACNG8ALDH1A1
SCHEMBL4445023 0.78 AHR (0.61) AHRMAPK1TSHRCES1ALDH1A1
SCHEMBL29434906 0.78 AHR (0.61) AHRMAPK1TSHRCES1ALDH1A1
SCHEMBL4450440 0.77 AHR (0.52) AHRMAPK1TSHRCES1ALDH1A1
SCHEMBL29455135 0.77 AHR (0.52) AHRMAPK1TSHRCES1ALDH1A1
SCHEMBL4453603 0.75 AHR (0.50) AHRMAPK1TSHRLMNAALDH1A1
SCHEMBL4459297 0.75 AHR (0.50) AHRCYP2A6CYP1A2TSHRLMNA
SCHEMBL4450490 0.75 AHR (0.57) AHRMAPK1CYP2A6CYP1A2TSHR

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