SCHEMBL13370341

SCHEMBL13370341

Cc1cc(NC(=O)CC(C)CCN[S+]([O-])C(C)(C)C)c(C)c(O)c1O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL13972730 0.79 PKM (0.33) LMNAHTTSMN1; SMN2PKMTHRA
SCHEMBL13370303 0.78 PKM (0.38) LMNAHTTSMN1; SMN2PKMTHRA
SCHEMBL13370430 0.64 CA1 (0.41) LMNAHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL13973439 0.63 SMN1; SMN2 (0.37) LMNAHTTSMN1; SMN2HDAC3HDAC4
SCHEMBL10115085 0.63 ATM (0.33) LMNA
SCHEMBL10115087 0.62 ATM (0.33) LMNA
SCHEMBL28934704 0.60
SCHEMBL12846467 0.58 MEN1 (0.35) LMNAHTTSMN1; SMN2THRATHRB
SCHEMBL8079767 0.57 LMNA (0.49) LMNAHTTSMN1; SMN2PKMTHRA
SCHEMBL19847366 0.56 SOAT2 (0.42) PKMTHRATHRB

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-2014285-B1 NPYY5 antagonists SHIONOGI & CO (JP) 2010-05-05 EP disclosed