SCHEMBL9115531

SCHEMBL9115531

O=C(O)C=CC1=CC(=O)C=CC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.44
HCAR2 Q8TDS4 5/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 3/20 0.36
CA12 O43570 2/20 0.36
AKR1B10 O60218 2/20 0.36

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
SCHEMBL9115527 1.00 SNCA (0.44) SNCAHCAR2HDAC3HDAC4HDAC1
Fumaric Acid SCHEMBL2054350 0.71 TSHR (0.56) HCAR2HDAC3HDAC4HDAC1HDAC7
Fumaric Acid SCHEMBL2054349 0.71 TSHR (0.56) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8627021 0.71 ERBB2 (0.38) SNCAPKMKDM4EMEN1ALDH1A1
SCHEMBL29135031 0.71 HCAR2 (0.39) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29135030 0.71 HCAR2 (0.39) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL17934782 0.71 HCAR2 (0.39) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4324588 0.69 CMA1 (0.48) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4324589 0.69 CMA1 (0.48) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL48973 0.67 TDP1 (0.42) SNCAPKMKDM4EMEN1ALDH1A1

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
JP-7033739-A None JP disclosed
JP-H0733739-A PRODUCTION OF QUINONE COMPOUNDS EISAI KAGAKU KK 1995-02-03 JP disclosed