SCHEMBL8323623

SCHEMBL8323623

COC(=O)c1ccc(C=Cc2cc(SC)ccc2OCc2ccccc2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.56
APP P05067 4/20 0.44
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8323389 0.91 GCK (0.62) GCKAPPALDH1A1KDM4ELMNA
SCHEMBL8323393 0.91 GCK (0.62) GCKAPPALDH1A1KDM4ELMNA
SCHEMBL8322341 0.87 PTGER4 (0.53) APPHPGDALDH1A1KDM4EHTT
SCHEMBL8319694 0.87 PTGER4 (0.53) APPHPGDALDH1A1KDM4EHTT
SCHEMBL8319700 0.87 PTGER4 (0.53) APPHPGDALDH1A1KDM4EHTT
SCHEMBL8321448 0.86 APP (0.58) APPHPGDALDH1A1KDM4EHTT
SCHEMBL8324551 0.86 LMNA (0.54) APPHPGDALDH1A1KDM4EHTT
SCHEMBL8324548 0.86 LMNA (0.54) APPHPGDALDH1A1KDM4EHTT
SCHEMBL8321452 0.86 APP (0.58) APPHPGDALDH1A1KDM4EHTT
SCHEMBL8326477 0.77 GCK (0.69) GCKAPPHPGDALDH1A1KDM4E

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