SCHEMBL7742952

SCHEMBL7742952

COC=C(C(=O)OC)c1ccccc1C(C)ON=CC(=NOC)c1cc(F)c(OCc2cccc(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
ADCYAP1R1 P41586 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
MAOB P27338 5/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
NR4A2 P43354 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33

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
SCHEMBL7736872 0.89 HIF1A (0.43) HIF1ASPHK2SPHK1MAOBMAPT
SCHEMBL7497482 0.88 HIF1A (0.38) HIF1ASPHK2SPHK1MAOBMAPT
SCHEMBL7500162 0.86 HIF1A (0.36) HIF1ATHRBHTT
SCHEMBL7496505 0.84 MAOB (0.43) HIF1AADCYAP1R1SPHK2SPHK1MAOB
SCHEMBL7497710 0.82 MAOB (0.41) HIF1AADCYAP1R1SPHK2SPHK1MAOB
SCHEMBL7493123 0.82 MAOB (0.41) HIF1AADCYAP1R1SPHK2SPHK1MAOB
SCHEMBL7736851 0.82 MAOB (0.41) HIF1AADCYAP1R1SPHK2SPHK1MAOB
SCHEMBL7498439 0.82 HIF1A (0.38) HIF1A
SCHEMBL7742949 0.77 HIF1A (0.48) HIF1AADCYAP1R1SPHK2SPHK1MAOB
SCHEMBL7742946 0.77 HIF1A (0.48) HIF1AADCYAP1R1SPHK2SPHK1MAOB

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 4 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
EP-0865424-A1 PESTICIDES Novartis AG (CH) 1998-09-23 EP disclosed
WO-1997020809-A1 PESTICIDES NOVARTIS AG (CH) 1997-06-12 WO disclosed