SCHEMBL698338

SCHEMBL698338

CCOC(=O)c1ccc(=O)n2c1CCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.58
PDE3A Q14432 8/20 0.58
MAPK1 P28482 4/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 5/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL29161611 0.79 ALDH1A1 (0.56) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL21809815 0.78 PDE3B (0.47) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL17810128 0.77 PDE3B (0.56) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL22308111 0.76 PDE3B (0.58) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL698276 0.76 MAPK1 (0.56) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL22308112 0.75 PDE3B (0.60) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL16140693 0.75 PDE3B (0.86) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL2986415 0.74 NPC1 (0.38) PDE3BPDE3AALDH1A1ALOX15TSHR
SCHEMBL711780 0.74 ALDH1A1 (0.65) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL17814913 0.74 PDE3B (0.54) PDE3BPDE3AMAPK1GAAALDH1A1

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
EP-2421612-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS Novartis AG (CH) 2012-02-29 EP disclosed