SCHEMBL7992559

SCHEMBL7992559

CC(C)Oc1ccc(CCl)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ ACACB O00763 12/20 0.44
▸ ACACA Q13085 7/20 0.44
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ MLNR O43193 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ SCN9A Q15858 3/20 0.38
▸ SCN5A Q14524 2/20 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
SCHEMBL31143209 1.00 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL6468241 0.83 ALDH1A1 (0.46) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL29796918 0.81 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL21503513 0.81 ACACB (0.46) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL7992234 0.81 DAO (0.52) ACACBSCN9A
SCHEMBL31475048 0.81 ACACB (0.46) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL3939368 0.81 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL21994583 0.81 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL29738527 0.81 DAO (0.52) ACACBSCN9A
SCHEMBL26962241 0.81 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA

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-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 — — US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 — — US disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 — — US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 — — US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 — — US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 — — US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 — — US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 — — US disclosed
EP-0199281-B1 PYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND INSECTICIDAL, ACARICIDAL, NEMATICIDAL, FUNGICIDAL COMPOSITIONS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-07-10 — — EP disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 — — US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 — — US disclosed
US-4837217-A Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-06 — — US disclosed
US-4812571-A NITROMETHYLENE COMPOUNDS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-03-14 — — US disclosed
US-4774247-A Nitromethylene derivative insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-27 — — US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 — — US disclosed
US-4678795-A 1-pyridylmethyl-2-nitromethylene-1,3-diazacycloalkane insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-07-07 — — US disclosed
EP-0199281-A2 Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-10-29 — — EP disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 — — EP disclosed
EP-0163855-A1 Nitromethylene derivatives, intermediates, and process for their preparation as insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-12-11 — — EP disclosed
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