SCHEMBL6940996

SCHEMBL6940996

O=C(N[C@@H](CSCC(=O)N1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1)C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
P2RX7 Q99572 1/20 0.38
TGM2 P21980 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CTSL P07711 6/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
RECQL P46063 1/20 0.34
KMT2A Q03164 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
SCHEMBL6940993 1.00 HDAC1 (0.38) HDAC1HDAC2P2RX7TGM2DPP8
SCHEMBL6941351 0.86 DPP8 (0.44) TGM2DPP8DPP9RECQLKMT2A
SCHEMBL6944304 0.86 CACNA1B (0.39) HDAC1HDAC2P2RX7CTSLPPARG
SCHEMBL6944300 0.86 CACNA1B (0.39) HDAC1HDAC2P2RX7CTSLPPARG
SCHEMBL8988380 0.85 CTSL (0.39) HDAC1HDAC2P2RX7TGM2CTSL
SCHEMBL6941021 0.82 DPP8 (0.44) DPP8DPP9RECQLKMT2A
SCHEMBL6944182 0.80 ALDH1A1 (0.47) P2RX7CTSLPPARGPPARAKMT2A
SCHEMBL6944179 0.80 ALDH1A1 (0.47) P2RX7CTSLPPARGPPARAKMT2A
SCHEMBL6946787 0.80 DPP8 (0.42) DPP8DPP9RECQLKMT2A
SCHEMBL6943983 0.80 DPP8 (0.49) TGM2DPP8DPP9RECQLKMT2A

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 4 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
EP-0641795-B1 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2002-09-25 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