SCHEMBL8729361

SCHEMBL8729361

C=CC(=O)OCCCCCCCCCOc1ccc(C#N)c(OC(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HDAC1 Q13547 7/20 0.38
HDAC2 Q92769 7/20 0.38
HDAC3 O15379 6/20 0.38
HDAC4 P56524 6/20 0.38
HDAC7 Q8WUI4 6/20 0.38
HDAC10 Q969S8 6/20 0.38
HDAC11 Q96DB2 6/20 0.38
HDAC8 Q9BY41 6/20 0.38
HDAC6 Q9UBN7 6/20 0.38
HDAC9 Q9UKV0 6/20 0.38
HDAC5 Q9UQL6 6/20 0.38
HTT P42858 1/20 0.38
FABP7 O15540 1/20 0.38
FABP3 P05413 1/20 0.38
FABP5 Q01469 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.36
CYP3A4 P08684 1/20 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
SCHEMBL8728023 1.00 THRB (0.42) THRBALDH1A1HPGDHDAC1HDAC2
SCHEMBL8728018 1.00 THRB (0.42) THRBALDH1A1HPGDHDAC1HDAC2
SCHEMBL8729334 1.00 THRB (0.42) THRBALDH1A1HPGDHDAC1HDAC2
SCHEMBL8724323 1.00 THRB (0.42) THRBALDH1A1HPGDHDAC1HDAC2
SCHEMBL8729288 1.00 THRB (0.42) THRBALDH1A1HPGDHDAC1HDAC2
SCHEMBL8724515 1.00 THRB (0.42) THRBALDH1A1HPGDHDAC1HDAC2
SCHEMBL8728206 1.00 THRB (0.42) THRBALDH1A1HPGDHDAC1HDAC2
SCHEMBL8728000 0.99 THRB (0.43) THRBALDH1A1HPGDHDAC1HDAC2
SCHEMBL8723332 0.97 THRB (0.43) THRBALDH1A1HPGDFABP7FABP3
SCHEMBL8728014 0.89 THRB (0.44) THRBALDH1A1HDAC1HDAC2HDAC3

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
US-5800733-A Photo cross-linkable liquid crystal derivatives ROLIC AG (CH) 1998-09-01 US disclosed