SCHEMBL4453636

SCHEMBL4453636

Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
AHR P35869 8/20 0.54
CYP3A4 P08684 3/20 0.50
TSHR P16473 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
SCN2A Q99250 4/20 0.40
HSP90AA1 P07900 1/20 0.40
SCN9A Q15858 3/20 0.39
SCN3A Q9NY46 3/20 0.39
SCN10A Q9Y5Y9 3/20 0.39
RECQL P46063 1/20 0.38
SCN1A P35498 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 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
SCHEMBL30035850 1.00 ALDH1A1 (0.55) ALDH1A1AHRCYP3A4TSHRHSD17B10
SCHEMBL2930780 0.89 ALDH1A1 (0.69) ALDH1A1AHRCYP3A4TSHRHSD17B10
SCHEMBL30034845 0.86 CYP3A4 (0.67) ALDH1A1AHRCYP3A4TSHRHSD17B10
SCHEMBL2230314 0.86 CYP3A4 (0.67) ALDH1A1AHRCYP3A4TSHRHSD17B10
SCHEMBL30621939 0.84 ALDH1A1 (0.55) ALDH1A1AHRCYP3A4TSHRHSD17B10
SCHEMBL4447150 0.84 ALDH1A1 (0.55) ALDH1A1AHRCYP3A4TSHRHSD17B10
SCHEMBL4450365 0.83 AHR (0.56) ALDH1A1AHRCYP3A4TSHRHSD17B10
SCHEMBL4453545 0.82 AHR (0.60) ALDH1A1AHRCYP3A4TSHRHSD17B10
SCHEMBL29624841 0.82 AHR (0.60) ALDH1A1AHRCYP3A4TSHRHSD17B10
SCHEMBL4451811 0.81 ALDH1A1 (0.58) ALDH1A1AHRCYP3A4TSHRHSD17B10

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 7 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
EP-1616022-A2 TEST SYSTEM FOR DETECTING CONTAMINANTS Crown Vision Systems Limited (GB) 2006-01-18 EP 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
WO-2004090156-A2 TEST SYSTEM FOR DETECTING CONTAMINANTS CROWN VISION SYSTEMS LIMITED (GB) 2004-10-21 WO disclosed