SCHEMBL4459037

SCHEMBL4459037

Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
AHR P35869 11/20 0.44
ALDH1A1 P00352 2/20 0.41
HPGD P15428 4/20 0.40
TSHR P16473 4/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPK1 P28482 2/20 0.40
CASP1 P29466 1/20 0.38
CYP1B1 Q16678 1/20 0.37
HSP90AA1 P07900 1/20 0.35
CES1 P23141 1/20 0.34
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
SCHEMBL30621937 1.00 CYP3A4 (0.50) CYP3A4AHRALDH1A1HPGDTSHR
SCHEMBL23827191 0.89 CYP3A4 (0.47) CYP3A4AHRALDH1A1HPGDTSHR
SCHEMBL30542156 0.89 CYP3A4 (0.47) CYP3A4AHRALDH1A1HPGDTSHR
SCHEMBL4459306 0.86 CYP3A4 (0.59) CYP3A4AHRALDH1A1HPGDTSHR
SCHEMBL3889367 0.86 CYP3A4 (0.67) CYP3A4AHRALDH1A1HPGDTSHR
SCHEMBL30621942 0.86 CYP3A4 (0.67) CYP3A4AHRALDH1A1HPGDTSHR
SCHEMBL29915258 0.83 CYP3A4 (0.45) CYP3A4AHRALDH1A1TSHRMAPK1
SCHEMBL2933260 0.83 CYP3A4 (0.45) CYP3A4AHRALDH1A1TSHRMAPK1
SCHEMBL4448496 0.82 CYP3A4 (0.48) CYP3A4AHRALDH1A1HPGDTSHR
SCHEMBL4459139 0.81 ALDH1A1 (0.50) CYP3A4AHRALDH1A1HPGDTSHR

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