SCHEMBL4453333

SCHEMBL4453333

Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 8/20 0.61
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.43
CYP1B1 Q16678 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP1A2 P05177 2/20 0.42
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX5 P09917 1/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4453629 0.85 AHR (0.56) AHRALDH1A1CYP3A4CYP1B1LMNA
SCHEMBL11743568 0.84 AHR (0.50) AHRALDH1A1CYP1B1LMNACYP2A6
SCHEMBL11475170 0.83 AHR (0.48) AHRALDH1A1CYP3A4CYP1B1LMNA
SCHEMBL4458316 0.80 LMNA (0.50) AHRALDH1A1CYP3A4LMNACYP2A6
SCHEMBL15655130 0.80 CYP1A2 (0.50) AHRALDH1A1CYP3A4CYP1B1LMNA
SCHEMBL4448755 0.80 AHR (0.68) AHRALDH1A1CYP1B1LMNACYP2A6
SCHEMBL3501601 0.80 AHR (0.45) AHRALDH1A1CYP3A4MAPK1
SCHEMBL4458291 0.79 AHR (0.48) AHRALDH1A1CYP3A4CYP1B1LMNA
SCHEMBL2936378 0.79 MEN1 (0.45) AHRALDH1A1CYP3A4CYP1B1LMNA
SCHEMBL30384693 0.79 AHR (0.48) AHRALDH1A1CYP3A4CYP1B1LMNA

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