SCHEMBL3457950

SCHEMBL3457950

COc1cc(COS(C)(=O)=O)ccc1OCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PDE4B Q07343 2/20 0.42
CYP19A1 P11511 2/20 0.42
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
SCN5A Q14524 2/20 0.40
SCN9A Q15858 2/20 0.40
HPGD P15428 2/20 0.39
EPHX1 P07099 1/20 0.39
ELANE P08246 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL3459059 0.94 PDE4B (0.47) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL3458432 0.82 RECQL (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL8685698 0.80 CA2 (0.55) CYP19A1HTT
SCHEMBL15898811 0.80 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL13412908 0.78 THRA (0.54) MEN1KMT2APARP15PARP10EPHX1
SCHEMBL2617468 0.76 ABCB1 (0.54) MEN1KMT2AHPGD
SCHEMBL3457432 0.76 XDH (0.44) MEN1KMT2AHTT
SCHEMBL14629581 0.75 PDE4B (0.41) MEN1KMT2APDE4BAPOBEC3AHTT
SCHEMBL6943277 0.75 PDE4B (0.45) MEN1KMT2APARP15PARP10PDE4B
SCHEMBL14084720 0.74 PARP15 (0.58) MEN1KMT2APARP15PARP10PDE4B

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