SCHEMBL11023693

SCHEMBL11023693

O=C(O)O[C@H]1CC[C@H](CNC(=O)c2ccc(O)c(O)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.47
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42

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
SCHEMBL11029166 0.83 HDAC6 (0.52) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL11025263 0.83 HDAC6 (0.52) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL11116772 0.82 HDAC3 (0.53) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL11022766 0.79 HDAC6 (0.51) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL11118913 0.78 ERCC1 (0.49) HDAC1HDAC6MEN1KMT2A
SCHEMBL140390 0.77 EGFR (0.53) MAPK14HDAC6MEN1KMT2ACA2
SCHEMBL6248105 0.77 EGFR (0.53) MAPK14HDAC6MEN1KMT2ACA2
SCHEMBL5532830 0.74 AR (0.52) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL5531673 0.74 AR (0.56) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL5532824 0.74 AR (0.52) MAPK14HDAC3HDAC4HDAC1HDAC7

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
EP-0059108-B1 DERIVATIVES OF DIHYDROXYBENZOIC ACID KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-08-14 EP claimed