SCHEMBL4458316

SCHEMBL4458316

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP2A6 P11509 1/20 0.50
AHR P35869 2/20 0.48
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 1/20 0.39
IKBKB O14920 1/20 0.39
MAP3K14 Q99558 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX5 P09917 1/20 0.39
IDO1 P14902 1/20 0.38
KIF11 P52732 1/20 0.38
PTGS2 P35354 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL11223011 0.83 LMNA (0.61) LMNACYP2A6AHRCYP1A2ALDH1A1
SCHEMBL4453333 0.80 AHR (0.61) LMNACYP2A6AHRCYP1A2ALDH1A1
SCHEMBL10704736 0.77 ESR1 (0.53) LMNAALDH1A1CYP3A4HSD17B10KDM4E
SCHEMBL31484680 0.77 CYP1A2 (0.57) LMNACYP2A6CYP1A2ALDH1A1MAPK1
SCHEMBL4453629 0.76 AHR (0.56) LMNACYP2A6AHRCYP1A2ALDH1A1
SCHEMBL3952742 0.75 CYP1A2 (0.73) LMNACYP2A6AHRCYP1A2ALDH1A1
SCHEMBL11165087 0.75 CYP1A2 (0.73) LMNACYP2A6AHRCYP1A2ALDH1A1
SCHEMBL28215 0.75 CYP1A2 (0.73) LMNACYP2A6AHRCYP1A2ALDH1A1
SCHEMBL142795 0.75 LMNA (0.48) LMNACYP2A6AHRCYP1A2ALDH1A1
SCHEMBL4458291 0.75 AHR (0.48) LMNACYP2A6AHRCYP1A2ALDH1A1

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