SCHEMBL8203403

SCHEMBL8203403

C=C(O)c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.54
HDAC1 Q13547 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.49
CA1 P00915 2/20 0.46
CA2 P00918 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC10 Q969S8 1/20 0.46
EPHX2 P34913 2/20 0.46
NR1H4 Q96RI1 2/20 0.46
KMT2A Q03164 1/20 0.45
SDCBP O00560 1/20 0.45
SDC2 P34741 1/20 0.45
LMNA P02545 1/20 0.43
RAB9A P51151 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
SCHEMBL133327 0.88 KMT2A (0.60) NAMPTHDAC1L3MBTL1GAACA1
SCHEMBL3180689 0.87 L3MBTL1 (0.61) NAMPTHDAC1L3MBTL1GAACA1
SCHEMBL5736115 0.85 HDAC1 (0.60) NAMPTHDAC1L3MBTL1HDAC6HDAC10
SCHEMBL12511497 0.85 CA2 (0.52) NAMPTGAACA1CA2KMT2A
Ethylene SCHEMBL11089909 0.85 EPHX2 (0.56) NAMPTHDAC1L3MBTL1GAACA1
SCHEMBL2874913 0.85 NAMPT (0.54) NAMPTHDAC1L3MBTL1GAACA1
SCHEMBL10165179 0.84 NAMPT (0.56) NAMPTHDAC1L3MBTL1GAACA1
SCHEMBL8127981 0.84 EPHX2 (0.59) NAMPTHDAC1L3MBTL1GAACA1
SCHEMBL23959162 0.84 HDAC1 (0.61) NAMPTHDAC1L3MBTL1GAAHDAC6
SCHEMBL12133585 0.84 HDAC1 (0.58) NAMPTHDAC1L3MBTL1GAACA1

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
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 WO disclosed