SCHEMBL7598628

SCHEMBL7598628

COC(=O)C(=O)c1c(C)cccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR4A2 P43354 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
PTPN1 P18031 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
TYK2 P29597 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL15445363 0.87 ALDH1A1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL6357822 0.87 CES2 (0.50) NPC1RAB9AGAA
SCHEMBL31465673 0.79 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL17788044 0.78 NCEH1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL403705 0.77 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL2705722 0.77 NPC1 (0.49) L3MBTL1NPC1RAB9AALDH1A1TYK2
SCHEMBL10441887 0.77 CES2 (0.64) CA12CA1CA2CA7CA9
SCHEMBL28035202 0.76 FEN1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL28462211 0.75 HPGD (0.43) TDP1NR4A2NPC1RAB9AALDH1A1
SCHEMBL7594989 0.75 HIF1A (0.43) CA12CA1CA2CA7CA9

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 3 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