SCHEMBL4459802

SCHEMBL4459802

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.61
ALDH1A1 P00352 4/20 0.50
TP53 P04637 1/20 0.46
HSD11B1 P28845 1/20 0.44
TSHR P16473 4/20 0.41
CYP3A4 P08684 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
RAB9A P51151 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
S100A4 P26447 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4445166 0.88 AHR (0.58) AHRALDH1A1TP53HSD11B1TSHR
SCHEMBL4456273 0.86 AHR (0.57) AHRALDH1A1TP53HSD11B1TSHR
SCHEMBL29624837 0.84 AHR (0.54) AHRALDH1A1TP53HSD11B1TSHR
SCHEMBL4450039 0.84 AHR (0.54) AHRALDH1A1TP53HSD11B1TSHR
SCHEMBL4452962 0.82 AHR (0.56) AHRALDH1A1TP53HSD11B1TSHR
SCHEMBL4450035 0.81 AHR (0.61) AHRALDH1A1TP53HSD11B1TSHR
SCHEMBL4453366 0.81 TP53 (0.46) AHRALDH1A1TP53TSHRCYP3A4
SCHEMBL29624840 0.79 AHR (0.64) AHRALDH1A1TP53HSD11B1TSHR
SCHEMBL464507 0.79 AHR (0.64) AHRALDH1A1TP53HSD11B1TSHR
SCHEMBL4459067 0.77 ALDH1A1 (0.58) AHRALDH1A1TSHRCYP3A4HSD17B10

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
CN-111954919-B Sample processing system, mass spectrometer and related methods 生物梅里埃有限公司 2023-10-20 CN disclosed
US-20230330725-A1 VOLATILIZATION AND OXIDATION OF ORGANIC WASTE NATIONAL BANK OF CANADA (CA) 2023-10-19 US disclosed
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