SCHEMBL5793253

SCHEMBL5793253

O=C(O)COc1ccc2oc(=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
NOS3 P29474 3/20 0.47
NOS1 P29475 3/20 0.47
NOS2 P35228 3/20 0.47
TSHR P16473 3/20 0.47
CYP1A2 P05177 1/20 0.47
ADRA2A P08913 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PDE2A O00408 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL3633406 0.80 NOS1 (0.51) LMNAALDH1A1KDM4ENOS3NOS1
SCHEMBL10503336 0.78 MAOB (0.67) L3MBTL1MEN1KMT2A
SCHEMBL30282672 0.77 NOS3 (0.55) LMNAALDH1A1KDM4EHPGDNOS3
SCHEMBL25153702 0.77 NOS3 (0.55) LMNAALDH1A1KDM4EHPGDNOS3
SCHEMBL29114117 0.76 NOS3 (0.54) LMNAALDH1A1KDM4EHPGDNOS3
SCHEMBL30613110 0.76 NOS3 (0.54) LMNAALDH1A1KDM4EHPGDNOS3
SCHEMBL341673 0.74 LMNA (0.85) LMNAALDH1A1KDM4EHPGDLOXL2
SCHEMBL29447076 0.74 NOS1 (0.61) LMNAALDH1A1KDM4EHPGDNOS3
SCHEMBL244237 0.74 NOS1 (0.61) LMNAALDH1A1KDM4EHPGDNOS3
SCHEMBL9131214 0.74 NOS1 (0.51) LMNAALDH1A1KDM4EHPGDNOS3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006010968-A1 NEW ARYLOXY ACETIC ACID AMIDE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 WO disclosed