SCHEMBL2017664

SCHEMBL2017664

Cc1c(C(=O)OCC2CCCCC2)[nH]c2c1C(=O)CC(c1ccco1)C2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.77
POLB P06746 11/20 0.77
PKM P14618 11/20 0.77
L3MBTL1 Q9Y468 10/20 0.77
LMNA P02545 10/20 0.77
TSHR P16473 7/20 0.77
HSD17B10 Q99714 7/20 0.77
TDP1 Q9NUW8 7/20 0.77
NPSR1 Q6W5P4 6/20 0.77
ESR1 P03372 5/20 0.77
RECQL P46063 4/20 0.77
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
HTT P42858 3/20 0.77
ALOX15 P16050 2/20 0.77
MCL1 Q07820 1/20 0.77
SMN1; SMN2 Q16637 11/20 0.76
MAPT P10636 8/20 0.76
APEX1 P27695 3/20 0.76
BLM P54132 2/20 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 0.87 POLB (1.00) ALDH1A1POLBPKML3MBTL1LMNA
SCHEMBL2015803 0.86 ALDH1A1 (1.00) ALDH1A1POLBPKML3MBTL1LMNA
SCHEMBL2017963 0.86 POLB (0.98) ALDH1A1POLBPKML3MBTL1LMNA
SCHEMBL2016219 0.85 SMN1; SMN2 (0.87) ALDH1A1POLBPKML3MBTL1LMNA
SCHEMBL2016888 0.85 POLB (0.84) ALDH1A1POLBPKML3MBTL1LMNA
SCHEMBL2022610 0.85 POLB (1.00) ALDH1A1POLBPKML3MBTL1LMNA
SCHEMBL2015501 0.84 POLB (1.00) ALDH1A1POLBPKML3MBTL1LMNA
SCHEMBL2019581 0.84 POLB (1.00) ALDH1A1POLBPKML3MBTL1LMNA
SCHEMBL2016416 0.83 POLB (0.80) ALDH1A1POLBPKML3MBTL1LMNA
SCHEMBL2016203 0.83 POLB (1.00) ALDH1A1POLBPKML3MBTL1LMNA

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