SCHEMBL20153612

SCHEMBL20153612

COC1=C(CO)C(=O)OC1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
AKT1 P31749 1/20 0.33
MAOA P21397 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ELANE P08246 1/20 0.31
IDO1 P14902 2/20 0.30

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
SCHEMBL9639299 0.74 ALDH1A1 (0.41) APPMAPTALDH1A1HSD17B10TDP1
SCHEMBL16455005 0.73 KDM4E (0.34) APPAKT1MAOAMAPTALDH1A1
SCHEMBL12920089 0.71 CDC25A (0.34) APPAKT1
SCHEMBL29281137 0.69 AKT1 (0.32) AKT1
SCHEMBL29281135 0.69 AKT1 (0.32) AKT1
SCHEMBL16231160 0.63 MAPT (0.50) MAOAMAPTALDH1A1THRBALOX15
SCHEMBL309435 0.60 POLL (0.32) MAPTALDH1A1ALOX15HIF1ATDP1
SCHEMBL18403695 0.59 KDM4E (0.36) MAPTALDH1A1
SCHEMBL16447238 0.58 APP (0.43) APPMAPTALDH1A1ALOX15HIF1A
SCHEMBL8745839 0.58 PTGS2 (0.39) MAOAALDH1A1

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
WO-2018089230-A1 ANTIOXIDANT COMPOUNDS FOR CLEAVE FORMULATIONS THAT SUPPORT LONG READS IN SEQUENCING-BY-SYNTHESIS QIAGEN SCIENCES LLC (US) 2018-05-17 WO disclosed