SCHEMBL7744889

SCHEMBL7744889

CCC(/C(=N/OC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1)=C(\ON)c1ccccc1/C(=C\OC)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.47
MAOB P27338 8/20 0.46
NR4A2 P43354 2/20 0.44
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
ADCYAP1R1 P41586 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
POLB P06746 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL8536965 0.94 HIF1A (0.46) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL7742091 0.88 MAOB (0.47) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL7465788 0.88 MAOB (0.47) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL7498229 0.87 HIF1A (0.39) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL8544101 0.87 MAOB (0.45) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL8538076 0.85 MAOB (0.45) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL7736845 0.85 MAOB (0.44) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL7500151 0.83 HIF1A (0.40) HIF1AMAOBFFAR1FFAR4
SCHEMBL7744891 0.83 HIF1A (0.52) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL8180161 0.83 MAPK14 (0.39) HIF1AMAPTMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420423-B1 PESTICIDE FOR USE ON CEREALS, BEETS, FRUITS, BERRIES, AND BEANS; KILLS MITES, INSECTS, TERMITES, LICE, FLEAS, AND FUNGUS; TOLERATED WELL BE ANIMALS, PLANTS, AND FISH BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
US-5985921-A OXIDATION AND HYDROGENATION OF COMPOUNDS TO FORM INSECTICIDES AS AGROCHEMICALS NOVARTIS CORPORATION (US) 1999-11-16 US disclosed