SCHEMBL9560716

SCHEMBL9560716

O=Cc1ccc(F)c(Oc2ccc(Br)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.45
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 11/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TRIM24 O15164 1/20 0.37
HPGD P15428 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36

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
SCHEMBL10891697 0.87 ALDH1A1 (0.51) TTRMAOAMAOBALDH1A1TSHR
SCHEMBL9560357 0.85 HSD17B10 (0.48) TTRALDH1A1TSHRL3MBTL1POLB
SCHEMBL11032150 0.84 TTR (0.60) TTRMAOAMAOBALDH1A1TSHR
SCHEMBL30508566 0.83 TTR (0.64) TTRMAOAMAOBALDH1A1TSHR
SCHEMBL920233 0.83 TTR (0.64) TTRMAOAMAOBALDH1A1TSHR
SCHEMBL9762708 0.81 TTR (0.42) TTRALDH1A1L3MBTL1POLBCASP6
SCHEMBL10545722 0.80 TUBB4A (0.33) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10549574 0.80 TUBB4A (0.33) MAOAMAOBMAPTTUBB4ATUBB
SCHEMBL6742359 0.80 ALDH1A1 (0.47) TTRALDH1A1L3MBTL1POLBCASP6
Sulfurous Acid SCHEMBL10561789 0.77 TTR (0.56) TTRMAOAMAOBALDH1A1TSHR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57118531-A None JP disclosed
JP-57118531-A None JP disclosed
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed
US-4582856-A INSECXTICIDE, ACARICIDE BAYER AKTIENGESELLSCHAFT (DE) 1986-04-15 US disclosed
EP-0121847-A2 2,2-dimethyl-3-(2-halovinyl)cyclopropane carboxylates, process for their preparation and their use as pesticides BAYER AG (DE) 1984-10-17 EP disclosed
EP-0044139-B1 NEW CYCLOPROPANECARBOXYLATES, THEIR PRODUCTION AND A LOW FISH TOXIC INSECTICIDE AND/OR ACARICIDE CONTAINING THEM AS AN ACTIVE INGREDIENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-09-26 EP disclosed
EP-0057384-B1 4-FLUORO-3-HALOPHENOXY-BENZYL ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN PESTICIDES, ALSO INTERMEDIATE PRODUCTS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1984-07-25 EP disclosed
US-4376785-A Cyclopropanecarboxylates and a low fish toxic insecticide and/or acaricide containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-03-15 US disclosed
EP-0057384-A2 4-Fluoro-3-halophenoxy-benzyl esters, process for their preparation and their use in pesticides, also intermediate products and process for their preparation BAYER AG (DE) 1982-08-11 EP disclosed
JP-S57118531-A 3-(4-BROMOPHENOXY)-4-FLUOROBENZALDEHYDE AND ITS PREPARATION SUMITOMO CHEM CO LTD 1982-07-23 JP disclosed
JP-S57118531-A 3-(4-BROMOPHENOXY)-4-FLUOROBENZALDEHYDE AND ITS PREPARATION SUMITOMO CHEM CO LTD 1982-07-23 JP disclosed
EP-0044139-A2 New cyclopropanecarboxylates, their production and a low fish toxic insecticide and/or acaricide containing them as an active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-20 EP disclosed