SCHEMBL2016416

SCHEMBL2016416

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 14/20 0.80
ALDH1A1 P00352 11/20 0.80
PKM P14618 11/20 0.80
LMNA P02545 11/20 0.80
L3MBTL1 Q9Y468 10/20 0.80
TSHR P16473 9/20 0.80
HSD17B10 Q99714 7/20 0.80
TDP1 Q9NUW8 6/20 0.80
NPSR1 Q6W5P4 6/20 0.80
ESR1 P03372 5/20 0.80
RECQL P46063 4/20 0.80
KMT2A Q03164 4/20 0.80
HTT P42858 4/20 0.80
MEN1 O00255 3/20 0.80
ALOX15 P16050 2/20 0.80
MCL1 Q07820 1/20 0.80
MAPK1 P28482 6/20 0.78
APEX1 P27695 3/20 0.78
BLM P54132 2/20 0.78
SMN1; SMN2 Q16637 10/20 0.76

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
SCHEMBL2014912 0.89 POLB (1.00) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2015736 0.88 ALDH1A1 (0.77) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2015501 0.88 POLB (1.00) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2014406 0.87 ALDH1A1 (0.74) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2022610 0.86 POLB (1.00) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2016888 0.86 POLB (0.84) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2016219 0.86 SMN1; SMN2 (0.87) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2017148 0.86 POLB (0.79) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2017963 0.86 POLB (0.98) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2019581 0.86 POLB (1.00) POLBALDH1A1PKMLMNAL3MBTL1

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