SCHEMBL6947045

SCHEMBL6947045

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CACNA1A O00555 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNB1 Q02641 1/20 0.39
ACE P12821 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HTRA1 Q92743 1/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SRC P12931 4/20 0.37
CHRM1 P11229 3/20 0.36
NR1D1 P20393 2/20 0.36
UCHL1 P09936 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6947047 1.00 KMT2A (0.41) KMT2AMEN1CACNA1ACACNA2D1CACNB1
SCHEMBL12589813 0.85 KMT2A (0.44) KMT2AMEN1CACNA1ACACNA2D1CACNB1
SCHEMBL2059320 0.85 KMT2A (0.44) KMT2AMEN1CACNA1ACACNA2D1CACNB1
SCHEMBL9686556 0.83 UCHL1 (0.44) KMT2AMEN1ACEKDM4EPKM
SCHEMBL28721184 0.81 HTRA1 (0.54) KMT2AMEN1CACNA1ACACNA2D1CACNB1
SCHEMBL3053308 0.78 MEN1 (0.42) KMT2AMEN1CACNA1ACACNA2D1CACNB1
SCHEMBL6787235 0.78 MEN1 (0.42) KMT2AMEN1CACNA1ACACNA2D1CACNB1
SCHEMBL3053306 0.78 MEN1 (0.42) KMT2AMEN1CACNA1ACACNA2D1CACNB1
SCHEMBL699296 0.78 KDM4E (0.43) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL24023380 0.77 HPGD (0.46) KMT2AMEN1ALDH1A1PKML3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
US-5559224-A Carbepenem derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed