SCHEMBL8583252

SCHEMBL8583252

CC(C)(C)OC(=O)C[C@@H](NC(=O)c1cccnc1)C(O)=S

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ECE1 P42892 1/20 0.44
GAA P10253 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 1/20 0.42
THRB P10828 1/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GPR132 Q9UNW8 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL15967436 0.88 MEN1 (0.46) LMNAKMT2AMEN1CYP2C9CYP3A4
SCHEMBL8583251 0.87 MEN1 (0.45) LMNAKMT2AMEN1CYP2C9CYP3A4
SCHEMBL8221672 0.83 LMNA (0.48) LMNAKMT2AMEN1CYP2C9CYP3A4
SCHEMBL8581880 0.80 MEN1 (0.59) LMNAKMT2AMEN1CYP2C9CYP3A4
SCHEMBL6520376 0.79 GPR132 (0.47) LMNAHDAC1HDAC6GPR132
SCHEMBL22262958 0.77 MEN1 (0.46) LMNAKMT2AMEN1CYP2C9CYP3A4
SCHEMBL22262960 0.77 MEN1 (0.46) LMNAKMT2AMEN1CYP2C9CYP3A4
SCHEMBL6522512 0.76 KMT2A (0.44) LMNAKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL6522516 0.76 KMT2A (0.44) LMNAKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL4028022 0.76 KMT2A (0.53) LMNAKMT2AMEN1CYP3A4ECE1

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-5705527-A VASODILATORS AND ANGINA PECTORIS SANKYO COMPANY, LIMITED (JP) 1998-01-06 US disclosed