SCHEMBL2017060

SCHEMBL2017060

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 14/20 0.81
ALDH1A1 P00352 12/20 0.81
POLB P06746 12/20 0.81
PKM P14618 11/20 0.81
L3MBTL1 Q9Y468 10/20 0.81
LMNA P02545 10/20 0.81
TSHR P16473 8/20 0.81
GAA P10253 1/20 0.81
RAB9A P51151 1/20 0.81
CREBBP Q92793 1/20 0.81
HSD17B10 Q99714 7/20 0.81
MAPK1 P28482 7/20 0.81
NPSR1 Q6W5P4 7/20 0.81
TDP1 Q9NUW8 6/20 0.81
ESR1 P03372 5/20 0.81
RECQL P46063 4/20 0.81
APEX1 P27695 3/20 0.81
ALOX15 P16050 2/20 0.81
BLM P54132 2/20 0.81
HTT P42858 4/20 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
SCHEMBL2016219 0.94 SMN1; SMN2 (0.87) SMN1; SMN2ALDH1A1POLBPKML3MBTL1
SCHEMBL2017482 0.94 POLB (0.85) SMN1; SMN2ALDH1A1POLBPKML3MBTL1
SCHEMBL2015769 0.90 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1POLBPKML3MBTL1
SCHEMBL2015501 0.90 POLB (1.00) SMN1; SMN2ALDH1A1POLBPKML3MBTL1
SCHEMBL2014912 0.89 POLB (1.00) SMN1; SMN2ALDH1A1POLBPKML3MBTL1
SCHEMBL2014615 0.89 SMN1; SMN2 (0.98) SMN1; SMN2ALDH1A1POLBPKML3MBTL1
SCHEMBL2016888 0.89 POLB (0.84) SMN1; SMN2ALDH1A1POLBPKML3MBTL1
SCHEMBL2018215 0.87 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1POLBPKML3MBTL1
SCHEMBL2016403 0.87 POLB (0.81) SMN1; SMN2ALDH1A1POLBPKML3MBTL1
SCHEMBL2021255 0.86 POLB (0.83) SMN1; SMN2ALDH1A1POLBPKML3MBTL1

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
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
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