SCHEMBL8359447

SCHEMBL8359447

O=C(O)C1=Nc2ccc(O)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
CA7 P43166 3/20 0.37
CA14 Q9ULX7 3/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
ESR2 Q92731 4/20 0.37
HSD17B1 P14061 1/20 0.37
ESR1 P03372 3/20 0.35
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL8359449 0.84 SRD5A1 (0.42) PDE3BPDE3ACA1CA2ALDH1A1
SCHEMBL8359371 0.82 ALDH1A1 (0.46) CA12CA1CA2CA9CA7
SCHEMBL8359369 0.78 NAMPT (0.35) CA12CA1CA2CA9CA7
SCHEMBL515808 0.76 TRPA1 (0.44) ALDH1A1TSHRMEN1POLBKMT2A
SCHEMBL12941012 0.72 PDE3B (0.41) PDE3BPDE3AESR2HSD17B1ESR1
SCHEMBL12652383 0.69 PDE3B (0.39) PDE3BPDE3ACA12CA2CA9
SCHEMBL7876604 0.66 PDE3B (0.43) PDE3BPDE3AESR2ESR1MAOA
SCHEMBL4373834 0.66 PDE3B (0.39) PDE3BPDE3AHSD17B1DRD1TYR
SCHEMBL12471893 0.64 ESR2 (0.40) CA12CA1CA2CA9CA7
SCHEMBL29722944 0.63 PDE3B (0.37) PDE3BPDE3AALDH1A1TSHRESR2

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-2003039540-A2 D-AMINO ACID OXIDASE INHIBITORS FOR LEARNING AND MEMORY SEPRACOR INC. (US) 2003-05-15 WO disclosed