SCHEMBL8326477

SCHEMBL8326477

COC(=O)c1cnc(C=Cc2cc(SC)ccc2OCc2ccccc2)cn1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.69
PTGER1 P34995 3/20 0.41
PTGER4 P35408 3/20 0.39
PTGER2 P43116 3/20 0.39
PTGER3 P43115 2/20 0.39
LMNA P02545 3/20 0.39
USP2 O75604 1/20 0.39
NOTUM Q6P988 1/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
APP P05067 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8675593 0.91 GCK (0.76) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL8323106 0.86 LMNA (0.54) GCKPTGER1LMNAUSP2ALDH1A1
SCHEMBL8323098 0.86 LMNA (0.54) GCKPTGER1LMNAUSP2ALDH1A1
SCHEMBL8320332 0.86 PTGER4 (0.54) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL8320330 0.86 PTGER4 (0.54) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL2642055 0.82 GCK (1.00) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL2642100 0.82 GCK (1.00) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL14519324 0.81 GCK (0.79) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL14519337 0.78 GCK (0.76) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL8323623 0.77 GCK (0.56) GCKLMNAHPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed