SCHEMBL8577668

SCHEMBL8577668

C#CC(O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
MEN1 O00255 1/20 0.51
CYP2D6 P10635 1/20 0.51
KMT2A Q03164 1/20 0.51
AKR1C3 P42330 1/20 0.47
ALOX5 P09917 1/20 0.46
MAOB P27338 1/20 0.43
LTA4H P09960 2/20 0.41
TSHR P16473 1/20 0.41
NPY5R Q15761 1/20 0.40
GLI1 P08151 1/20 0.40
GLI2 P10070 1/20 0.40
SRD5A2 P31213 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NR1H2 P55055 1/20 0.38
BAX Q07812 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
SCHEMBL10686594 1.00 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL10550089 1.00 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2AAKR1C3
Alcohol SCHEMBL11147915 0.92 PTGS1 (0.54) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL11209682 0.87 PTGS1 (0.44) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL11142983 0.87 PTGS1 (0.44) PTGS1MEN1CYP2D6KMT2AMAOB
SCHEMBL10976289 0.87 PTGS1 (0.44) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL11469906 0.85 FNTA (0.43) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL11479722 0.85 PTGS1 (0.42) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL6965069 0.84 SRD5A2 (0.54) PTGS1LTA4HTSHRSRD5A2NR1H2
SCHEMBL1677135 0.83 TSHR (0.60) PTGS1MEN1CYP2D6KMT2AAKR1C3

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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4661488-A Pyrimidine substituted-2,2-dimethylcyclopropane carboxylates useful for combating insect and acarine pests at a locus IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-28 US claimed
EP-0162538-A2 Cyclopropane derivates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-27 EP claimed
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-4225503-A Manufacture of esters IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-09-30 US claimed
JP-55167254-A None JP disclosed
JP-56057740-A None JP disclosed
WO-2013111393-A1 HAIR GROWING AGENT 学校法人東海大学 (JP) 2013-08-01 WO disclosed
WO-1998018329-A1 ARTHROPODICIDES AND PROCESS FOR THEIR PREPARATION Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1998-05-07 WO disclosed
EP-0317265-B1 Novel imidate insecticides ZENECA INC (US) 1994-06-01 EP disclosed
WO-1994008931-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-PHENYL-5-(3-PHENOXYPHENYL)-1,1,1-TRIFLUOROPENTANES SCHERING AKTIENGESELLSCHAFT (DE) 1994-04-28 WO disclosed
US-5089623-A Certain imidate insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 US disclosed
US-5070097-A MITICIDES ICI AMERICAS INC. (US) 1991-12-03 US disclosed
US-4087523-A 2,2-DIMETHYL-4,5-BENZOSPIRO(2,4)HEPTA-4,6-DIENE-1-CARBOXYLIC ACID, ALPHA-CYANO-M-PHENOXYBENZYL ESTER; N'-(4-CHLORO-O-TOLYL)-N,N-DIMETHYLFORMAMIDINE AMERICAN CYANAMID COMPANY (US) 1978-05-02 US disclosed
US-4060632-A MITICIDE, 3,3'-DIMETHYLSPIRO(CYCLOPROPANE-1,1'-INDENE-2-CARBOXYLIC ACID, M-PHENOXYBENZYL ESTERS AMERICAN CYANAMID COMPANY (US) 1977-11-29 US disclosed
US-4056628-A Insecticidal esters of alpha-phenoxy alkanoic acids with substituted benzyl alcohols HOFFMANN-LA ROCHE INC. (US) 1977-11-01 US disclosed
US-4012522-A INSECTICIDES SHELL OIL COMPANY (US) 1977-03-15 US disclosed
US-3998868-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-12-21 US disclosed
US-3966959-A Insecticidal and acaricidal, pyrethroid compounds AMERICAN CYANAMID COMPANY (US) 1976-06-29 US disclosed
US-3962458-A Systemic control of ectoparasites with pyrethroids AMERICAN CYANAMID COMPANY (US) 1976-06-08 US disclosed
US-3954814-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-05-04 US disclosed