SCHEMBL2013696

SCHEMBL2013696

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 1.00
SMN1; SMN2 Q16637 13/20 1.00
POLB P06746 12/20 1.00
PKM P14618 11/20 1.00
L3MBTL1 Q9Y468 10/20 1.00
TSHR P16473 8/20 1.00
MAPT P10636 8/20 1.00
HSD17B10 Q99714 7/20 1.00
ESR1 P03372 5/20 1.00
KMT2A Q03164 4/20 1.00
MEN1 O00255 3/20 1.00
PABPC1 P11940 1/20 1.00
EIF4H Q15056 1/20 1.00
LMNA P02545 13/20 0.81
MAPK1 P28482 9/20 0.81
TDP1 Q9NUW8 7/20 0.81
NPSR1 Q6W5P4 7/20 0.81
RECQL P46063 4/20 0.79
HTT P42858 4/20 0.79
ALOX15 P16050 2/20 0.79

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
SCHEMBL2013693 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBPKML3MBTL1
SCHEMBL2020480 0.90 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBPKML3MBTL1
SCHEMBL2014912 0.88 POLB (1.00) ALDH1A1SMN1; SMN2POLBPKML3MBTL1
SCHEMBL2016219 0.85 SMN1; SMN2 (0.87) ALDH1A1SMN1; SMN2POLBPKML3MBTL1
SCHEMBL2016888 0.85 POLB (0.84) ALDH1A1SMN1; SMN2POLBPKML3MBTL1
SCHEMBL2019581 0.85 POLB (1.00) ALDH1A1SMN1; SMN2POLBPKML3MBTL1
SCHEMBL2015501 0.85 POLB (1.00) ALDH1A1SMN1; SMN2POLBPKML3MBTL1
SCHEMBL2016416 0.84 POLB (0.80) ALDH1A1SMN1; SMN2POLBPKML3MBTL1
SCHEMBL2016203 0.84 POLB (1.00) ALDH1A1SMN1; SMN2POLBPKML3MBTL1
SCHEMBL2015999 0.83 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2POLBPKML3MBTL1

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