SCHEMBL9560397

SCHEMBL9560397

OCc1cccc(Oc2ccc(Br)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
TTR P02766 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOB P27338 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
FAAH O00519 1/20 0.41
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL11478458 0.87 MAOB (0.53) LTA4HTTRLMNATSHRMAOB
SCHEMBL29661187 0.85 LTA4H (0.67) LTA4HTTRTSHRHSD17B10MAOB
SCHEMBL358425 0.85 LTA4H (0.67) LTA4HTTRTSHRHSD17B10MAOB
SCHEMBL30979265 0.84 LTA4H (0.55) LTA4HTTRLMNATSHRSMN1; SMN2
SCHEMBL5112767 0.84 LTA4H (0.55) LTA4HTTRLMNATSHRSMN1; SMN2
SCHEMBL9560821 0.84 MAPT (0.44) MAPTTSHRHSD17B10MAOBSMN1; SMN2
Methane SCHEMBL10579323 0.83 LTA4H (0.64) LTA4HTTRTSHRHSD17B10MAOB
SCHEMBL1746839 0.82 FFAR1 (0.53) LTA4HTTRTSHRHSD17B10SMN1; SMN2
SCHEMBL1681007 0.82 SMN1; SMN2 (0.60) LTA4HSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL2351004 0.82 LTA4H (0.53) LTA4HTTRLMNATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4423243-A Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropanecarboxylic acids and esters BAYER AKTIENGESELLSCHAFT (DE) 1983-12-27 US claimed
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-4532258-A Controlling insects, mites, pests KURARAY CO., LTD. (JP) 1985-07-30 US disclosed
US-4440955-A Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropanecarboxylic acids and esters BAYER AKTIENGESELLSCHAFT (DE) 1984-04-03 US disclosed
US-4423243-A Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropanecarboxylic acids and esters BAYER AKTIENGESELLSCHAFT (DE) 1983-12-27 US disclosed
EP-0008340-B1 FLUOROALKENYL-SUBSTITUTED CYCLOPROPANECARBOXYLIC ACID ESTERS, INTERMEDIATE PRODUCTS THEREFOR, PREPARATION OF THE COMPOUNDS AND THEIR UTILIZATION AS INSECTICIDES AND/OR ACARICIDES BAYER AG (DE) 1983-12-21 EP disclosed
US-4405639-A INSECTICIDES; PESTICIDES; MITICIDES; NEMATOCIDES; PARACITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed
US-4390547-A 2,2-Dimethyl-3-(substituted ethyl)cyclopropane carboxylate pesticidal compositions and methods KURARAY CO., LTD. (JP) 1983-06-28 US disclosed
US-4348323-A FLUORINE-CONTAINING BENZODIOXINE INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
EP-0056154-A1 Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropane-carboxylic acids and their esters BAYER AG (DE) 1982-07-21 EP disclosed
US-4299839-A Novel pesticides and pesticidal compositions cyclopropanecarboxylates and pesticidal method KURARAY CO., LTD. (JP) 1981-11-10 US disclosed
US-4284643-A Combating arthropods with novel fluorine-containing phenylacetic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
US-4252820-A Arthropodicidal 2,2-dimethyl-3-(2-perfluoroalkyl-2-perhaloalkyl-vinyl)-cyclopropanecarboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
US-4242357-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed
EP-0008732-A2 Fluorine-containing esters of phenylacetic acids, process for their preparation and their use as insecticides and acaricides; intermediate products for their preparation BAYER AG (DE) 1980-03-19 EP disclosed
EP-0008340-A1 Fluoroalkenyl-substituted cyclopropanecarboxylic acid esters, intermediate products therefor, preparation of the compounds and their utilization as insecticides and/or acaricides BAYER AG (DE) 1980-03-05 EP disclosed