SCHEMBL4456479

SCHEMBL4456479

Clc1cc(Cl)cc(-c2cccc(Cl)c2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.45
CNR2 P34972 6/20 0.43
NOTUM Q6P988 1/20 0.40
IDO1 P14902 1/20 0.40
TSHR P16473 1/20 0.39
CYP2A6 P11509 1/20 0.39
CNR1 P21554 1/20 0.39
PTPRC P08575 1/20 0.39
CYP2D6 P10635 1/20 0.38
MAOA P21397 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
SCN4A P35499 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
PDE3A Q14432 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 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
SCHEMBL4445051 0.84 TDO2 (0.44) AHRCNR2NOTUMCYP2A6SCN9A
SCHEMBL4456546 0.84 AHR (0.64) AHRCNR2NOTUMIDO1TSHR
SCHEMBL2233679 0.81 CYP2A6 (0.61) AHRCNR2TSHRCYP2A6CNR1
SCHEMBL29586653 0.81 CYP2A6 (0.61) AHRCNR2TSHRCYP2A6CNR1
SCHEMBL4456555 0.79 AHR (0.71) AHRCNR2TSHRCNR1MAPK1
SCHEMBL4453342 0.79 CNR2 (0.53) AHRCNR2NOTUMIDO1TSHR
SCHEMBL4456481 0.79 ALDH1A1 (0.43) AHRCNR2NOTUMIDO1TSHR
SCHEMBL3873202 0.78 AHR (0.42) AHRCNR2NOTUMIDO1TSHR
SCHEMBL31339486 0.78 AHR (0.42) AHRCNR2NOTUMIDO1TSHR
SCHEMBL4456505 0.77 ALDH1A1 (0.48) AHRNOTUMIDO1TSHRCYP2D6

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 8 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-220711552-U Novel conference machine 广东嘀嗒酷显柔性显示技术股份有限公司 2024-04-02 CN disclosed
US-20230330725-A1 VOLATILIZATION AND OXIDATION OF ORGANIC WASTE NATIONAL BANK OF CANADA (CA) 2023-10-19 US disclosed
CN-216699502-U 40kA three-phase 3+1 mode fusing type surge protector 成都标定科技有限责任公司 2022-06-07 CN 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