SCHEMBL11519663

SCHEMBL11519663

CC(C)(C)OC(=O)NCc1ccc(OCC(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA12 O43570 5/20 0.48
CA9 Q16790 5/20 0.48
EPHX2 P34913 2/20 0.48
NR1H4 Q96RI1 2/20 0.48
NAMPT P43490 2/20 0.46
GAA P10253 2/20 0.46
FAAH O00519 1/20 0.46
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3608658 0.87 EPHX2 (0.62) HDAC1L3MBTL1CA1CA2CA12
SCHEMBL14305174 0.86 L3MBTL1 (0.51) HDAC1L3MBTL1CA1CA2CA12
SCHEMBL6774590 0.86 L3MBTL1 (0.51) HDAC1L3MBTL1CA1CA2CA12
SCHEMBL11519657 0.86 L3MBTL1 (0.51) HDAC1L3MBTL1CA1CA2CA12
SCHEMBL5987090 0.84 EPHX2 (0.58) HDAC1L3MBTL1EPHX2NR1H4NAMPT
SCHEMBL23884201 0.83 HDAC1 (0.56) HDAC1L3MBTL1CA1CA2CA12
SCHEMBL3180689 0.83 L3MBTL1 (0.61) HDAC1L3MBTL1CA1CA2CA12
SCHEMBL28619767 0.83 HDAC1 (0.50) HDAC1L3MBTL1CA1CA2CA12
SCHEMBL8611284 0.82 L3MBTL1 (0.52) HDAC1L3MBTL1CA1CA2CA12
SCHEMBL30905374 0.82 L3MBTL1 (0.54) HDAC1L3MBTL1CA1CA2CA12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed