SCHEMBL13296131

SCHEMBL13296131

COC(=O)OC/C=C/c1ccccc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.60
TFEB P19484 1/20 0.55
KDM4E B2RXH2 5/20 0.54
GRIK1 P39086 1/20 0.52
GRIK2 Q13002 1/20 0.52
GRIK3 Q13003 1/20 0.52
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
ALOX12 P18054 1/20 0.50
BCHE P06276 1/20 0.50
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL3300830 1.00 NFE2L2 (0.60) NFE2L2TFEBKDM4EGRIK1GRIK2
SCHEMBL3320429 0.94 NFE2L2 (0.59) NFE2L2TFEBKDM4EGRIK1GRIK2
SCHEMBL8542378 0.86 KDM4E (0.59) NFE2L2TFEBKDM4EGRIK1GRIK2
SCHEMBL20378725 0.86 KDM4E (0.59) NFE2L2TFEBKDM4EGRIK1GRIK2
SCHEMBL5856631 0.84 NFE2L2 (0.56) NFE2L2TFEBKDM4EGRIK1GRIK2
SCHEMBL5856634 0.84 NFE2L2 (0.56) NFE2L2TFEBKDM4EGRIK1GRIK2
SCHEMBL28453539 0.83 NFE2L2 (0.40) NFE2L2KDM4EGRIK1GRIK2GRIK3
SCHEMBL29229628 0.82 MAOB (0.46) NFE2L2KDM4EMAPTKMT2AALDH1A1
SCHEMBL27733948 0.81 KDM4E (0.54) NFE2L2TFEBKDM4EGRIK1GRIK2
SCHEMBL11826024 0.80 KDM4E (0.64) NFE2L2TFEBKDM4EGRIK1GRIK2

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
US-7732365-B2 Enantioselective amination and etherification YALE UNIVERSITY (US) 2010-06-08 US disclosed
US-7732365-B2 Enantioselective amination and etherification YALE UNIVERSITY (US) 2010-06-08 US disclosed