SCHEMBL9013276

SCHEMBL9013276

C=CC(=O)CCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCCC(=O)C=C)cc3)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
HDAC1 Q13547 8/20 0.42
HDAC2 Q92769 7/20 0.42
HDAC3 O15379 4/20 0.41
HDAC4 P56524 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
LSS P48449 2/20 0.41
HTT P42858 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL7573086 0.86 THRB (0.52) LSSHTTESR1ESR2GAA
SCHEMBL7579498 0.86 THRB (0.52) LSSHTTESR1ESR2GAA
SCHEMBL7573889 0.86 THRB (0.52) LSSHTTESR1ESR2GAA
SCHEMBL7581397 0.86 THRB (0.52) LSSHTTESR1ESR2GAA
SCHEMBL7573281 0.86 THRB (0.52) LSSHTTESR1ESR2GAA
SCHEMBL7573088 0.86 THRB (0.52) LSSHTTESR1ESR2GAA
SCHEMBL7573309 0.86 THRB (0.52) LSSHTTESR1ESR2GAA
SCHEMBL7575091 0.86 THRB (0.52) LSSHTTESR1ESR2GAA
SCHEMBL7572221 0.85 ESR1 (0.42) PPARALSSHTTESR1ESR2
SCHEMBL7579545 0.85 ESR1 (0.42) PPARALSSHTTESR1ESR2

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-8245520-A None JP disclosed
JP-H08245520-A PHOTOCROSS-LINKABLE NAPHTHALENE DERIVATIVE F HOFFMANN LA ROCHE AG 1996-09-24 JP disclosed