SCHEMBL7497482

SCHEMBL7497482

COC=C(C(=O)OC)c1ccccc1C(C)ON=CC(=NOC)c1cc(F)c(OCc2cccc(C(F)(F)F)c2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
MAOB P27338 2/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SLC1A5 Q15758 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 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 0.91 HIF1A (0.43) HIF1AMAOBL3MBTL1SPHK2SPHK1
SCHEMBL7742952 0.88 HIF1A (0.38) HIF1AMAOBL3MBTL1SPHK2SPHK1
SCHEMBL7500162 0.83 HIF1A (0.36) HIF1AALDH1A1FFAR4HTT
SCHEMBL7493477 0.82
SCHEMBL7496505 0.81 MAOB (0.43) HIF1AMAOBL3MBTL1SPHK2SPHK1
SCHEMBL7497710 0.79 MAOB (0.41) HIF1AMAOBL3MBTL1SPHK2SPHK1
SCHEMBL7493123 0.79 MAOB (0.41) HIF1AMAOBL3MBTL1SPHK2SPHK1
SCHEMBL7736851 0.79 MAOB (0.41) HIF1AMAOBL3MBTL1SPHK2SPHK1
SCHEMBL7498439 0.78 HIF1A (0.38) HIF1AALDH1A1
SCHEMBL7497471 0.78 HIF1A (0.48) HIF1AMAOBS1PR1S1PR5L3MBTL1

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 5 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
EP-1207152-A2 Pesticides Bayer Aktiengesellschaft (DE) 2002-05-22 EP 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