SCHEMBL4453356

SCHEMBL4453356

Clc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
TAAR1 Q96RJ0 2/20 0.42
IKBKE Q14164 1/20 0.42
NOTUM Q6P988 2/20 0.40
TSHR P16473 2/20 0.40
ESR2 Q92731 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHFR P00374 1/20 0.39
IDO1 P14902 4/20 0.39
MAOB P27338 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL30387433 1.00 ALOX5 (0.44) ALOX5TAAR1IKBKENOTUMTSHR
SCHEMBL4452902 0.84 ALOX5 (0.45) ALOX5TAAR1IKBKENOTUMTSHR
SCHEMBL4459641 0.84 ALOX5 (0.48) ALOX5TAAR1IKBKENOTUMTSHR
SCHEMBL29369441 0.81 AHR (0.44) TSHRTP53ALDH1A1
SCHEMBL4452927 0.81 AHR (0.44) TSHRTP53ALDH1A1
SCHEMBL4450643 0.81 ALOX5 (0.42) ALOX5TAAR1IKBKENOTUMTSHR
SCHEMBL4458179 0.79 ALOX5 (0.48) ALOX5TAAR1IKBKENOTUMTSHR
SCHEMBL4450693 0.79 ALOX5 (0.48) ALOX5TAAR1IKBKENOTUMTSHR
SCHEMBL4453337 0.77 AHR (0.61) ALOX5TAAR1NOTUMTSHRESR2
SCHEMBL29368088 0.77 CYP2A6 (0.44) TSHRESR2ALDH1A1

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 6 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-20170001052-A1 METHOD FOR ACTIVATING OXYGENASE-CONTAINING COMPOSITION AND CONTAMINANT DETOXIFICATION METHOD AND DEVICE BASED ON SAME TAKAHATA ELECTRONICS CORPORATION (JP) 2017-01-05 US 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