SCHEMBL4450510

SCHEMBL4450510

Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.48
TSHR P16473 3/20 0.42
PNMT P11086 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
PDK2 Q15119 1/20 0.36
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
IDO1 P14902 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
NOTUM Q6P988 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
SCHEMBL29492227 0.84 AHR (0.52) AHRCYP3A4MAPK1CYP2A6TDP1
SCHEMBL4453307 0.84 AHR (0.52) AHRCYP3A4MAPK1CYP2A6TDP1
SCHEMBL4456270 0.84 TSHR (0.46) TSHRPNMTCYP3A4MAPK1CYP1A2
SCHEMBL811508 0.82 AHR (0.50) AHRTSHRPNMTCYP3A4MAPK1
SCHEMBL4447012 0.80 NOTUM (0.42) TSHRPNMTMAPK1CYP1A2CYP2A6
SCHEMBL4459649 0.80 AHR (0.54) AHRTSHRCYP3A4MAPK1TDP1
SCHEMBL30621941 0.80 NOTUM (0.42) TSHRPNMTMAPK1CYP1A2CYP2A6
SCHEMBL2230317 0.79 AHR (0.52) AHRTSHRCYP3A4MAPK1CYP2A6
SCHEMBL30301086 0.79 AHR (0.52) AHRTSHRCYP3A4MAPK1CYP2A6
SCHEMBL4459297 0.78 AHR (0.50) AHRTSHRPNMTCYP3A4CYP1A2

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
US-20230330725-A1 VOLATILIZATION AND OXIDATION OF ORGANIC WASTE NATIONAL BANK OF CANADA (CA) 2023-10-19 US disclosed
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