SCHEMBL8758596

SCHEMBL8758596

COC(OC)[C@@H]1C[C@H](SC(=O)c2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 4/20 0.35
ACE P12821 1/20 0.35
PREP P48147 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
UCHL1 P09936 1/20 0.35
ECE1 P42892 1/20 0.35
PIK3CD O00329 1/20 0.34
USP30 Q70CQ3 3/20 0.34
RORC P51449 3/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MEN1 O00255 3/20 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
SCHEMBL8759651 0.78 KDM4E (0.38) HTRA1KDM4EPKMKMT2AACE
SCHEMBL9686556 0.78 UCHL1 (0.44) HTRA1KDM4EPKMKMT2AACE
SCHEMBL8758593 0.77 ECE1 (0.47) HTRA1KDM4EPKMKMT2AACE
SCHEMBL6947047 0.76 KMT2A (0.41) HTRA1KDM4EPKMKMT2AACE
SCHEMBL6947045 0.76 KMT2A (0.41) HTRA1KDM4EPKMKMT2AACE
SCHEMBL21640298 0.76 KDM4E (0.49) KDM4EPKMKMT2AGPR119USP30
SCHEMBL8759160 0.73 CHRM2 (0.43) PIK3CDNR1H2NR1H3
SCHEMBL6398075 0.72 KDM4E (0.54) KDM4EPKMKMT2AGPR119USP30
SCHEMBL7203728 0.72 KDM4E (0.54) KDM4EPKMKMT2AGPR119USP30
SCHEMBL27400480 0.69 KDM4E (0.46) KDM4EPKMKMT2AGPR119USP30

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-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed