SCHEMBL11077700

SCHEMBL11077700

CCOC(=O)c1cn(NCC=O)c2cc3c(cc2c1=O)OCO3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
RXFP1 Q9HBX9 6/20 0.43
TP53 P04637 4/20 0.43
MAPT P10636 6/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
BLM P54132 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
SCHEMBL11084978 0.88 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11081172 0.86 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11102750 0.86 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11102844 0.85 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11081594 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL10922683 0.80 KMT2A (0.53) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL10612962 0.79 HPGD (0.74) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11087689 0.79 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11077692 0.78 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11077798 0.78 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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
US-4439436-A BACTERICIDES STERLING DRUG INC. (US) 1984-03-27 US claimed
US-4439436-A BACTERICIDES STERLING DRUG INC. (US) 1984-03-27 US disclosed
EP-0101951-A1 1,3-Dioxolo(4,5-g)quinolines and preparation thereof STERLING DRUG INC. (US) 1984-03-07 EP disclosed