SCHEMBL9202138

SCHEMBL9202138

CCCCCCC(=O)NNC(=O)c1ccc2cc(OC(C)=O)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
ALPI P09923 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
THRA P10827 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPV1 Q8NER1 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
SCHEMBL10058977 0.89 GAA (0.69) GAAALDH1A1LMNAPOLBTDP1
SCHEMBL9205365 0.87 THRA (0.59) GAAALDH1A1LMNAPOLBHDAC1
SCHEMBL9212015 0.85 PLK1 (0.52) THRA
SCHEMBL6635555 0.84 HDAC1 (0.65) GAAALDH1A1LMNAPOLBTDP1
SCHEMBL14010836 0.81 L3MBTL1 (0.56) HDAC3HDAC1HDAC2KMT2A
SCHEMBL14010834 0.81 L3MBTL1 (0.56) HDAC3HDAC1HDAC2KMT2A
N-Octacosanoic Acid SCHEMBL7828933 0.79 TP53 (0.52) KDM4ETHRA
SCHEMBL10058954 0.79 GAA (0.85) GAAALDH1A1LMNAPOLBTDP1
SCHEMBL8742478 0.79 GAA (0.67) GAAALDH1A1LMNAPOLBTDP1
SCHEMBL7828937 0.78 THRA (0.46) THRAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415256-B1 Mesomorphic compound, liquid crystal composition containing same and liquid crystal device using same CANON KK (JP) 1995-11-02 EP disclosed
US-5091109-A Ferroelectric; improved responsiveness CANON KABUSHIKI KAISHA (JP) 1992-02-25 US disclosed
EP-0415256-A2 Mesomorphic compound, liquid crystal composition containing same and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1991-03-06 EP disclosed