SCHEMBL6942572

SCHEMBL6942572

CCOC(=O)[C@@H]1C[C@H](SCc2ccc(OC)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.42
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
P2RX3 P56373 1/20 0.40
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
FKBP1A P62942 2/20 0.37
KDM1A O60341 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 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
SCHEMBL9202881 1.00 HTRA1 (0.42) HTRA1DPP4DPP7P2RX3ALDH1A1
SCHEMBL5409683 0.91 HTRA1 (0.46) HTRA1DPP4DPP7P2RX3ALDH1A1
SCHEMBL9030309 0.90 MEN1 (0.40) HTRA1DPP4DPP7ALDH1A1L3MBTL1
SCHEMBL5405039 0.88 HTRA1 (0.44) HTRA1DPP4DPP7ALDH1A1MMP1
SCHEMBL8435103 0.88 HTRA1 (0.44) HTRA1DPP4DPP7ALDH1A1MMP1
SCHEMBL7177077 0.88 HTRA1 (0.44) HTRA1DPP4DPP7ALDH1A1MMP1
SCHEMBL8435358 0.88 HTRA1 (0.44) HTRA1DPP4DPP7ALDH1A1MMP1
SCHEMBL19912952 0.88 HTRA1 (0.44) HTRA1DPP4DPP7ALDH1A1MMP1
SCHEMBL9202402 0.87 HTRA1 (0.44) HTRA1DPP4DPP7ALDH1A1MMP1
SCHEMBL5406518 0.83 HTRA1 (0.42) HTRA1DPP4DPP7ALDH1A1L3MBTL1

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