SCHEMBL2017482

SCHEMBL2017482

CCOCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 13/20 0.85
ALDH1A1 P00352 12/20 0.85
PKM P14618 11/20 0.85
L3MBTL1 Q9Y468 10/20 0.85
LMNA P02545 10/20 0.85
HSD17B10 Q99714 7/20 0.85
TSHR P16473 7/20 0.85
NPSR1 Q6W5P4 7/20 0.85
TDP1 Q9NUW8 6/20 0.85
ESR1 P03372 5/20 0.85
RECQL P46063 4/20 0.85
MEN1 O00255 4/20 0.85
KMT2A Q03164 4/20 0.85
HTT P42858 3/20 0.85
ALOX15 P16050 2/20 0.85
MCL1 Q07820 1/20 0.85
MAPK1 P28482 7/20 0.82
APEX1 P27695 3/20 0.82
BLM P54132 2/20 0.82
SMN1; SMN2 Q16637 12/20 0.80

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
SCHEMBL2017060 0.94 SMN1; SMN2 (0.81) POLBALDH1A1PKML3MBTL1LMNA
SCHEMBL2014912 0.92 POLB (1.00) POLBALDH1A1PKML3MBTL1LMNA
SCHEMBL2016219 0.91 SMN1; SMN2 (0.87) POLBALDH1A1PKML3MBTL1LMNA
SCHEMBL2015501 0.90 POLB (1.00) POLBALDH1A1PKML3MBTL1LMNA
SCHEMBL2016888 0.89 POLB (0.84) POLBALDH1A1PKML3MBTL1LMNA
SCHEMBL2015769 0.89 SMN1; SMN2 (1.00) POLBALDH1A1PKML3MBTL1LMNA
SCHEMBL2016403 0.88 POLB (0.81) POLBALDH1A1PKML3MBTL1LMNA
SCHEMBL2018215 0.88 SMN1; SMN2 (1.00) POLBALDH1A1PKML3MBTL1LMNA
SCHEMBL2014615 0.88 SMN1; SMN2 (0.98) POLBALDH1A1PKML3MBTL1LMNA
SCHEMBL2021255 0.87 POLB (0.83) POLBALDH1A1PKML3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073929-A1 6-(2-FURYL)-3-METHYL-4-OXO-1,5,6,7-TETRAHYDROINDOLE-2-CARBOXYLATE DERIVATIVES AND USES THEREOF ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2011-06-23 WO claimed
WO-2011073929-A1 6-(2-FURYL)-3-METHYL-4-OXO-1,5,6,7-TETRAHYDROINDOLE-2-CARBOXYLATE DERIVATIVES AND USES THEREOF ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2011-06-23 WO disclosed