SCHEMBL8546213

SCHEMBL8546213

CCCCCCc1ccc(-c2ncc(-c3ccc(OC(=O)CCCc4ccccc4)cc3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
THRA P10827 1/20 0.46
PTPN1 P18031 1/20 0.42
HPGD P15428 2/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
KMT2A Q03164 2/20 0.41
ESR1 P03372 1/20 0.41
FAAH O00519 1/20 0.41
RARB P10826 4/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RARA P10276 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL8884217 0.94 THRB (0.49) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL8882011 0.94 THRB (0.49) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL8885373 0.94 THRB (0.49) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL8768333 0.94 THRB (0.49) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL7164023 0.94 THRB (0.49) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL8769272 0.94 THRB (0.49) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL8890435 0.94 THRB (0.49) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL8768339 0.92 THRB (0.46) THRBTHRAMAPTSMN1; SMN2HDAC1
SCHEMBL8886085 0.92 THRB (0.46) THRBTHRAMAPTSMN1; SMN2HDAC1
SCHEMBL8769317 0.90 THRB (0.44) THRBTHRAHPGDMAPTSMN1; SMN2

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-0640677-B1 Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KK (JP) 1998-10-28 EP disclosed
US-5462694-A Improved high speed response CANON KABUSHIKI KAISHA (JP) 1995-10-31 US disclosed
EP-0640677-A1 Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1995-03-01 EP disclosed