SCHEMBL11089306

SCHEMBL11089306

CN(C=O)n1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 5/20 0.60
HPGD P15428 3/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
APEX1 P27695 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
RXFP1 Q9HBX9 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL11113654 0.85 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11077692 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11074938 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL9163650 0.76 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11109728 0.76 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11102337 0.76 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10CYP1A2
Miloxacin SCHEMBL152466 0.75 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10CYP1A2
Oxolinic Acid SCHEMBL637058 0.75 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10CYP1A2
Oxolinic Acid SCHEMBL24445 0.75 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10CYP1A2
Miloxacin SCHEMBL29386043 0.75 KDM4E (0.65) 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