SCHEMBL3458432

SCHEMBL3458432

COc1cc(COS(C)(=O)=O)ccc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.54
PDE4B Q07343 12/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
PDE4A P27815 13/20 0.44
PDE4C Q08493 8/20 0.44
PDE4D Q08499 8/20 0.44
PDE3A Q14432 1/20 0.44

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
SCHEMBL15898811 0.95 PDE4B (0.54) RECQLPDE4BPDE4APDE4CPDE4D
SCHEMBL14629581 0.84 PDE4B (0.41) RECQLPDE4BHDAC1HDAC2
SCHEMBL8685698 0.84 CA2 (0.55)
SCHEMBL3457950 0.82 MEN1 (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL3459059 0.80 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL13034137 0.80 RECQL (0.56) RECQLPDE4BHDAC1HDAC2PDE4A
SCHEMBL13111720 0.80 RECQL (0.61) RECQLPDE4BHDAC1HDAC2PDE4A
SCHEMBL14244189 0.79 RECQL (0.60) RECQLPDE4BHDAC1HDAC2PDE4A
SCHEMBL134754 0.79 RECQL (0.67) RECQLPDE4BHDAC1HDAC2PDE4A
SCHEMBL13986189 0.79 RECQL (0.60) RECQLPDE4BHDAC1HDAC2PDE4A

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-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO disclosed