SCHEMBL20054225

SCHEMBL20054225

O=C(OCc1ccccc1)C1Cc2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
AOC2 O75106 5/20 0.45
MAOA P21397 5/20 0.45
MAOB P27338 5/20 0.45
DAO P14920 1/20 0.45
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
ELANE P08246 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL25999873 0.82 NFKB1 (0.41) HPGDTSHRAOC2MAOAMAOB
SCHEMBL9129772 0.82 CYP4F2 (0.52) HPGDTSHRAOC2MAOAMAOB
SCHEMBL8466630 0.82 ELANE (0.49) HPGDTSHRFABP7FABP5ELANE
SCHEMBL27894469 0.79 HPGD (0.55) HPGDTSHRAOC2MAOAMAOB
SCHEMBL3519014 0.77 HPGD (0.54) HPGDTSHRAOC2MAOAMAOB
SCHEMBL5846867 0.77 HPGD (0.54) HPGDTSHRAOC2MAOAMAOB
SCHEMBL5846876 0.77 HPGD (0.54) HPGDTSHRAOC2MAOAMAOB
SCHEMBL8482834 0.77 TSHR (0.47) HPGDTSHRFABP7FABP5ELANE
SCHEMBL19749101 0.77 ALDH1A1 (0.52) TSHRFABP7FABP5ALDH1A1
SCHEMBL29433900 0.77 ALDH1A1 (0.52) TSHRFABP7FABP5ALDH1A1

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
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed