SCHEMBL13289971

SCHEMBL13289971

C=CC(=O)OCCCCCCCCCCCCOc1ccc(-c2ccc(OCCCCCCCCCCCCOC(=O)C=C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.63
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 1/20 0.63
THRB P10828 1/20 0.61
HPGD P15428 1/20 0.53
HTT P42858 3/20 0.52
HDAC3 O15379 7/20 0.49
HDAC4 P56524 7/20 0.49
HDAC1 Q13547 7/20 0.49
HDAC7 Q8WUI4 7/20 0.49
HDAC2 Q92769 7/20 0.49
HDAC10 Q969S8 7/20 0.49
HDAC11 Q96DB2 7/20 0.49
HDAC8 Q9BY41 7/20 0.49
HDAC6 Q9UBN7 7/20 0.49
HDAC9 Q9UKV0 7/20 0.49
HDAC5 Q9UQL6 7/20 0.49
RARB P10826 3/20 0.49
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL723159 1.00 TSHR (0.63) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL14907526 1.00 TSHR (0.63) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL12172633 1.00 TSHR (0.63) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL12172632 0.98 THRB (0.63) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL14400543 0.95 THRB (0.69) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL12172631 0.95 THRB (0.63) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL16893714 0.94 THRB (0.68) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL16893840 0.94 THRB (0.68) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL16893915 0.94 THRB (0.68) TSHRALDH1A1CYP3A4THRBHTT
SCHEMBL16893846 0.94 THRB (0.68) TSHRALDH1A1CYP3A4THRBHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315728-B2 Polymerizable liquid crystal composition and homogeneous-aligned liquid crystal film JNC CORPORATION (JP) 2016-04-19 US disclosed
US-8419973-B2 Polymerizable liquid crystal composition and homeotropically-aligned liquid crystal film JNC CORPORATION (JP) 2013-04-16 US disclosed
US-20100151154-A1 Polymerizable liquid crystal composition and homeotropically-aligned liquid crystal film CHISSO CORPORATION 2010-06-17 US disclosed
US-20100143612-A1 Polymerizable liquid crystal composition and homogeneous-aligned liquid crystal film CHISSO CORPORATION 2010-06-10 US disclosed