SCHEMBL2015736

SCHEMBL2015736

Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)CC(c1ccco1)C2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.77
PKM P14618 12/20 0.77
POLB P06746 11/20 0.77
L3MBTL1 Q9Y468 10/20 0.77
TSHR P16473 10/20 0.77
SMN1; SMN2 Q16637 9/20 0.77
HSD17B10 Q99714 8/20 0.77
MAPK1 P28482 7/20 0.77
MAPT P10636 7/20 0.77
HTT P42858 5/20 0.77
LMNA P02545 11/20 0.76
TDP1 Q9NUW8 6/20 0.76
NPSR1 Q6W5P4 6/20 0.76
ESR1 P03372 5/20 0.76
RECQL P46063 4/20 0.76
KMT2A Q03164 4/20 0.76
MEN1 O00255 3/20 0.76
ALOX15 P16050 3/20 0.76
MCL1 Q07820 1/20 0.76
APEX1 P27695 3/20 0.71

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
SCHEMBL2016416 0.88 POLB (0.80) ALDH1A1PKMPOLBL3MBTL1TSHR
SCHEMBL2019581 0.87 POLB (1.00) ALDH1A1PKMPOLBL3MBTL1TSHR
SCHEMBL2018215 0.86 SMN1; SMN2 (1.00) ALDH1A1PKMPOLBL3MBTL1TSHR
SCHEMBL2014912 0.86 POLB (1.00) ALDH1A1PKMPOLBL3MBTL1TSHR
SCHEMBL2014406 0.85 ALDH1A1 (0.74) ALDH1A1PKMPOLBL3MBTL1TSHR
SCHEMBL2020480 0.84 ALDH1A1 (1.00) ALDH1A1PKMPOLBL3MBTL1TSHR
SCHEMBL2016219 0.84 SMN1; SMN2 (0.87) ALDH1A1PKMPOLBL3MBTL1TSHR
SCHEMBL2016888 0.84 POLB (0.84) ALDH1A1PKMPOLBL3MBTL1TSHR
SCHEMBL2022610 0.84 POLB (1.00) ALDH1A1PKMPOLBL3MBTL1TSHR
SCHEMBL2017963 0.83 POLB (0.98) ALDH1A1PKMPOLBL3MBTL1TSHR

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