SCHEMBL7594989

SCHEMBL7594989

CON=C(C(=O)OC)c1c(C)cccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.43
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR4A2 P43354 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL7645228 1.00 HIF1A (0.43) HIF1ACA12CA1CA2CA7
SCHEMBL6355686 0.89 POLB (0.46) HIF1APOLBKMT2A
SCHEMBL8193082 0.86 ALDH1A1 (0.40) HIF1ACA1CA2POLBALDH1A1
SCHEMBL8193085 0.86 ALDH1A1 (0.40) HIF1ACA1CA2POLBALDH1A1
SCHEMBL5713091 0.85 HIF1A (0.44) HIF1APOLBCYP2C9KMT2A
SCHEMBL5713111 0.85 HIF1A (0.44) HIF1ATAS1R3TAS1R1TAS1R2MEN1
SCHEMBL5713110 0.85 HIF1A (0.44) HIF1ATAS1R3TAS1R1TAS1R2MEN1
SCHEMBL6155893 0.81 HIF1A (0.51) HIF1APOLBL3MBTL1MEN1KMT2A
SCHEMBL29445316 0.81 HIF1A (0.51) HIF1APOLBL3MBTL1MEN1KMT2A
SCHEMBL29810082 0.81 HIF1A (0.51) HIF1APOLBL3MBTL1MEN1KMT2A

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
EP-0971884-B1 PHENYLKETIMINOOXYBENZYL COMPOUNDS, METHOD FOR THE PRODUCTION AND USE THEREOF BASF AG (DE) 2002-11-27 EP disclosed
US-6469209-B1 REACTING METHYL E-2-BROMOMETHYL-6-METHYLPHENYLGLYOXYLATE O-METHYL OXIME WITH O-CRESOL TO FORM METHYL E-2-((2-METHYLPHENYL)OXYMETHYL)-6-METHYLPHENYLGLYOXYLATE O-METHYL OXIME; AND THEN REACTING WITH METHYLAMINE DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2002-10-22 US disclosed
US-6187816-B1 CONTROLLING ANIMAL PESTS AND HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2001-02-13 US disclosed
EP-0971884-A1 PHENYLKETIMINOOXYBENZYL COMPOUNDS, METHOD FOR THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1998041498-A1 PHENYLKETIMINOOXYBENZYL COMPOUNDS, METHOD FOR THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed