SCHEMBL7469944

SCHEMBL7469944

CCON=C(C(C)=NOCc1ccccc1C(=COC)C(=O)OC)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HIF1A Q16665 5/20 0.35
FFAR1 O14842 1/20 0.35
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 2/20 0.34
PTGS2 P35354 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP3A5 P20815 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP1A2 P05177 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
SCHEMBL7469941 1.00 ALDH1A1 (0.35) ALDH1A1HIF1AFFAR1HTR2ASLC6A4
SCHEMBL7463027 0.92 HIF1A (0.40) HIF1APTGS2
SCHEMBL7463026 0.92 HIF1A (0.40) HIF1APTGS2
SCHEMBL7469583 0.89 HIF1A (0.35) ALDH1A1HIF1APTGS2
SCHEMBL7469587 0.89 HIF1A (0.35) ALDH1A1HIF1APTGS2
SCHEMBL7741768 0.88 HIF1A (0.34) ALDH1A1HIF1A
SCHEMBL17949969 0.87 HIF1A (0.40) HIF1APTGS2
SCHEMBL7470560 0.87 HIF1A (0.38) HIF1A
SCHEMBL7470567 0.87 HIF1A (0.38) HIF1A
SCHEMBL7467255 0.87 HIF1A (0.41) HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865424-B1 PESTICIDES BAYER AG (DE) 2002-09-18 EP disclosed
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