SCHEMBL5194502

SCHEMBL5194502

CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1N)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
AAK1 Q2M2I8 3/20 0.38
MEN1 O00255 1/20 0.38
NPR3 P17342 1/20 0.38
MMP13 P45452 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
GPR119 Q8TDV5 5/20 0.35
EPHX1 P07099 1/20 0.35
ATR Q13535 1/20 0.35
PLAU P00749 1/20 0.35
HPN P05981 1/20 0.35
YAP1 P46937 1/20 0.34

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
SCHEMBL5423939 0.85 PYGL (0.46) KMT2AMEN1MMP13MMP1MMP2
SCHEMBL5192366 0.85 KDM4E (0.48) KMT2AAAK1MEN1NPR3MMP13
SCHEMBL5194761 0.82 PYGL (0.39) AAK1NPR3MMP13MMP1MMP2
SCHEMBL5192203 0.81 MMP13 (0.46) AAK1NPR3MMP13MMP1MMP2
SCHEMBL5197189 0.80 MMP13 (0.38) AAK1NPR3MMP13
SCHEMBL2669295 0.75 KMT2A (0.45) KMT2AMEN1
SCHEMBL5216655 0.71 PYGL (0.38) KMT2AAAK1MMP13MMP1MMP2
SCHEMBL5192942 0.71 PYGL (0.62)
SCHEMBL3650262 0.70 ALDH1A1 (0.47) KMT2A
SCHEMBL3650260 0.70 ALDH1A1 (0.47) KMT2A

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
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed