SCHEMBL7979384

SCHEMBL7979384

CC1(C)C(C(=O)OCc2cccc(Oc3ccccc3)c2C#N)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
ADRA2A P08913 1/20 0.37
CNR1 P21554 1/20 0.37
ATM Q13315 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
MAPT P10636 1/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EZH2 Q15910 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTNNB1 P35222 1/20 0.35
CD274 Q9NZQ7 2/20 0.35
SLC6A4 P31645 1/20 0.35
MAPK8 P45983 1/20 0.35

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
SCHEMBL7746420 0.85 FFAR1 (0.46) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL10769994 0.83 MEN1 (0.45) MEN1KMT2ATSHRALDH1A1MRGPRX4
SCHEMBL6062731 0.81 TDP1 (0.62) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL9246156 0.81 TDP1 (0.62) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL8680245 0.81 TDP1 (0.51) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL11114290 0.77 MAPT (0.36) MRGPRX4MAPTHSD11B1EZH2SLC6A4
SCHEMBL11556883 0.76 TDP1 (0.42) MEN1KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL28348477 0.75 HSD11B1 (0.38) MEN1KMT2AALDH1A1MAPTHSD11B1
SCHEMBL5686109 0.73 HRH1 (0.44) MEN1KMT2AALDH1A1L3MBTL1CNR1
SCHEMBL9099955 0.72 PPARA (0.42) MEN1KMT2AALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988788-A1 INSECTICIDE/MITICIDE COMPOSITION AMERICAN CYANAMID COMPANY (US) 2000-03-29 EP claimed
WO-2021041278-A2 COMPOSITIONS AND METHODS RELATING TO INSECTICIDES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2021-03-04 WO disclosed
WO-2020198414-A1 COMPOSITIONS AND METHODS RELATING TO INSECTICIDES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2020-10-01 WO disclosed
CN-110999901-A Composite insecticidal and acaricidal nano water agent containing fenpropathrin and chlorpyrifos, and preparation method and application thereof 南京华洲药业有限公司 2020-04-14 CN disclosed
CN-110973154-A Composite insecticidal and acaricidal nano water agent containing fenpropathrin and emamectin benzoate and application thereof 南京华洲药业有限公司 2020-04-10 CN disclosed
CN-110973153-A Composite insecticidal and acaricidal nano-water agent containing fenpropathrin and efficient cyhalothrin and application thereof 南京华洲药业有限公司 2020-04-10 CN disclosed
CN-106359371-B Application of 2, 6-dimethylnaphthalene as insecticide auxiliary agent and preparation method thereof 海南汉地阳光石油化工有限公司 2019-12-20 CN disclosed
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
EP-0975587-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed
WO-1998043949-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-08 WO disclosed
EP-0663795-A1 SOLID CROP PROTECTION FORMULATION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-07-26 EP disclosed
EP-0618767-A1 INSECTICIDAL AND ACARICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-10-12 EP disclosed
WO-1994008457-A1 INSECTICIDAL AND ACARICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-04-28 WO disclosed
WO-1994008455-A1 SOLID CROP PROTECTION FORMULATION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-04-28 WO disclosed