SCHEMBL11076090

SCHEMBL11076090

N#Cc1cccc2c1-c1cc(O)ccc1C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.52
MAOA P21397 3/20 0.52
MAOB P27338 2/20 0.52
ESR1 P03372 2/20 0.52
UGT1A1 P22309 1/20 0.52
TTR P02766 2/20 0.47
USP7 Q93009 2/20 0.47
USP8 P40818 1/20 0.47
TYR P14679 1/20 0.46
USP47 Q96K76 1/20 0.43
MCL1 Q07820 4/20 0.42
BCL2 P10415 3/20 0.42
AURKA O14965 1/20 0.42
DYRK1A Q13627 1/20 0.42
CHEK1 O14757 1/20 0.41
WEE1 P30291 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 3/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL9266802 0.81 USP8 (0.58) MAOAMAOBUSP7USP8USP47
SCHEMBL7796247 0.78 MAOA (0.62) ESR2MAOAMAOBESR1UGT1A1
SCHEMBL31289519 0.78 USP8 (0.58) MAOAMAOBUSP7USP8MCL1
SCHEMBL939194 0.78 USP8 (0.58) MAOAMAOBUSP7USP8MCL1
Methane SCHEMBL27726276 0.76 USP8 (0.56) MAOAMAOBUSP7USP8MCL1
SCHEMBL8486849 0.75 USP8 (0.48) ESR2MAOAMAOBUSP7USP8
SCHEMBL31221958 0.75 USP8 (0.51) MAOAMAOBTTRUSP7USP8
SCHEMBL11137759 0.75 APAF1 (0.48) ESR2MAOAMAOBUSP7USP8
SCHEMBL26187370 0.74 ELANE (0.59) MAOAMAOBTTRUSP7USP8
SCHEMBL30610019 0.74 ELANE (0.59) MAOAMAOBTTRUSP7USP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4447420-A Fluorenone esters of phosphoric and phosphonic acids as insecticides VELSICOL CHEMICAL CORPORATION (US) 1984-05-08 US disclosed