SCHEMBL4450039

SCHEMBL4450039

Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.54
TP53 P04637 3/20 0.50
HSD11B1 P28845 2/20 0.42
ALDH1A1 P00352 5/20 0.42
TSHR P16473 4/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
RAB9A P51151 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
S100A4 P26447 1/20 0.38
MAPT P10636 1/20 0.38
SRD5A2 P31213 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
SCHEMBL29624837 1.00 AHR (0.54) AHRTP53HSD11B1ALDH1A1TSHR
SCHEMBL29618916 0.84 TP53 (0.46) AHRTP53ALDH1A1TSHRCYP3A4
SCHEMBL4459802 0.84 AHR (0.61) AHRTP53HSD11B1ALDH1A1TSHR
SCHEMBL4450570 0.84 TP53 (0.46) AHRTP53ALDH1A1TSHRCYP3A4
SCHEMBL4445166 0.81 AHR (0.58) AHRTP53HSD11B1ALDH1A1TSHR
SCHEMBL4452962 0.80 AHR (0.56) AHRTP53HSD11B1ALDH1A1TSHR
SCHEMBL4456273 0.80 AHR (0.57) AHRTP53HSD11B1ALDH1A1TSHR
SCHEMBL4454517 0.79 AHR (0.56) AHRTP53HSD11B1ALDH1A1TSHR
SCHEMBL4453603 0.79 AHR (0.50) AHRTP53HSD11B1ALDH1A1TSHR
SCHEMBL4450636 0.79 ALDH1A1 (0.50) AHRTP53ALDH1A1TSHRCYP3A4

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