SCHEMBL9375839

SCHEMBL9375839

CCCOc1cc(C(=O)CSc2ccccc2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.57
MAPT P10636 3/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
PDE4D Q08499 1/20 0.51
HSD11B1 P28845 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL28500412 0.88 MAPT (0.67) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL9589076 0.83 PDE4B (0.59) PDE4BMAPTPDE4DKDM4ETSHR
SCHEMBL9588165 0.82 PDE4B (0.58) PDE4BMAPTPDE4DKDM4ETSHR
SCHEMBL9375457 0.81 HDAC3 (0.57) PDE4BMAPTPDE4DKDM4ETSHR
SCHEMBL9590166 0.79 PDE4B (0.55) PDE4BMAPTPDE4DHPGDHDAC3
SCHEMBL7334285 0.79 CA12 (0.69) PDE4BHTTPDE4DTSHRHPGD
SCHEMBL9589259 0.78 PDE4B (0.62) PDE4BMAPTSMN1; SMN2PDE4DTSHR
SCHEMBL2499200 0.76 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL7175524 0.76 PDE4B (0.59) PDE4BMAPTSMN1; SMN2PDE4DTSHR
SCHEMBL7340408 0.74 PDE4B (0.57) PDE4BMAPTSMN1; SMN2PDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607217-A1 PYRIDINOL DERIVATIVES AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1994-07-27 EP disclosed
WO-1993007137-A1 PYRIDINOL DERIVATIVES AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1993-04-15 WO disclosed