SCHEMBL8105025

SCHEMBL8105025

C=CCOC(=O)COc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MAPT P10636 4/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
HPGD P15428 4/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAOB P27338 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1099049 0.83 CHRNB2 (0.56) KMT2AMAPTCTDSP1MEN1ALDH1A1
SCHEMBL29639143 0.83 CHRNB2 (0.56) KMT2AMAPTCTDSP1MEN1ALDH1A1
SCHEMBL655407 0.83 KMT2A (0.62) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL14537261 0.81 KMT2A (0.54) KMT2AMAPTCTDSP1MEN1ALDH1A1
SCHEMBL8112886 0.80 RAB9A (0.48) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL1784315 0.80 ALDH1A1 (0.63) KMT2AMAPTCTDSP1MEN1ALDH1A1
SCHEMBL14481735 0.79 HTT (0.49) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL8116474 0.79 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL7670870 0.79 CHRNB2 (0.51) KMT2AMAPTCTDSP1MEN1ALDH1A1
SCHEMBL217722 0.78 LMNA (0.57) KMT2AMAPTCTDSP1MEN1ALDH1A1

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-0590885-B1 Antibiotic carbapenem compounds ZENECA LTD (GB) 2000-03-15 EP disclosed
US-5527791-A Carbapenem antibiotic compounds ZENECA LIMITED (GB) 1996-06-18 US disclosed
EP-0590885-A1 Antibiotic carbapenem compounds ZENECA LIMITED (GB) 1994-04-06 EP disclosed