SCHEMBL6944179

SCHEMBL6944179

COc1ccc(COC(=O)N2CCN(C(=O)CSC[C@@H](NC(=O)OCc3ccc([N+](=O)[O-])cc3)C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
CACNA1B Q00975 1/20 0.47
KMT2A Q03164 2/20 0.45
P2RX7 Q99572 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.40
CTSL P07711 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL6944182 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTCACNA1BKMT2A
SCHEMBL6944304 0.85 CACNA1B (0.39) ALDH1A1SMN1; SMN2MAPTCACNA1BP2RX7
SCHEMBL6944300 0.85 CACNA1B (0.39) ALDH1A1SMN1; SMN2MAPTCACNA1BP2RX7
SCHEMBL6945857 0.83 PPARA (0.53) ALDH1A1MAPTCACNA1BKMT2AGAA
SCHEMBL6940993 0.80 HDAC1 (0.38) KMT2AP2RX7CTSLPPARGPPARA
SCHEMBL6940996 0.80 HDAC1 (0.38) KMT2AP2RX7CTSLPPARGPPARA
SCHEMBL6944598 0.80 GAA (0.55) ALDH1A1SMN1; SMN2MAPTKMT2AGAA
SCHEMBL6942909 0.79 PPARA (0.62) ALDH1A1KMT2AGAAMAPK1L3MBTL1
SCHEMBL6942912 0.79 PPARA (0.62) ALDH1A1KMT2AGAAMAPK1L3MBTL1
SCHEMBL6944839 0.77 DPP8 (0.52) ALDH1A1SMN1; SMN2MAPTKMT2AGAA

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