SCHEMBL2014615

SCHEMBL2014615

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

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 15/20 0.98
POLB P06746 13/20 0.98
ALDH1A1 P00352 12/20 0.98
PKM P14618 11/20 0.98
L3MBTL1 Q9Y468 10/20 0.98
LMNA P02545 10/20 0.98
TSHR P16473 8/20 0.98
GAA P10253 2/20 0.98
RAB9A P51151 1/20 0.98
CREBBP Q92793 1/20 0.98
HSD17B10 Q99714 7/20 0.80
NPSR1 Q6W5P4 7/20 0.80
TDP1 Q9NUW8 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

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
SCHEMBL2015769 0.99 SMN1; SMN2 (1.00) SMN1; SMN2POLBALDH1A1PKML3MBTL1
SCHEMBL2016219 0.92 SMN1; SMN2 (0.87) SMN1; SMN2POLBALDH1A1PKML3MBTL1
SCHEMBL2014912 0.89 POLB (1.00) SMN1; SMN2POLBALDH1A1PKML3MBTL1
SCHEMBL2017060 0.89 SMN1; SMN2 (0.81) SMN1; SMN2POLBALDH1A1PKML3MBTL1
SCHEMBL2016888 0.89 POLB (0.84) SMN1; SMN2POLBALDH1A1PKML3MBTL1
SCHEMBL2017482 0.88 POLB (0.85) SMN1; SMN2POLBALDH1A1PKML3MBTL1
SCHEMBL2021255 0.86 POLB (0.83) SMN1; SMN2POLBALDH1A1PKML3MBTL1
SCHEMBL2015999 0.86 ALDH1A1 (0.79) SMN1; SMN2POLBALDH1A1PKML3MBTL1
SCHEMBL2020989 0.86 SMN1; SMN2 (1.00) SMN1; SMN2POLBALDH1A1PKML3MBTL1
SCHEMBL2017148 0.86 POLB (0.79) SMN1; SMN2POLBALDH1A1PKML3MBTL1

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