SCHEMBL16425367

SCHEMBL16425367

C=CC(=O)OCOc1ccc(CCC(=O)Oc2ccc(CCCCC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.67
THRA P10827 8/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G4A P47712 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 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
SCHEMBL12154226 0.91 THRB (0.52) THRBKMT2ALMNAHPGDL3MBTL1
SCHEMBL16425348 0.89 THRB (0.52) THRBKMT2AMEN1LMNAHPGD
SCHEMBL15425180 0.88 THRB (0.62) THRBTHRAKMT2AMEN1LMNA
SCHEMBL16425371 0.87 THRB (0.50) THRBKMT2AMEN1LMNAL3MBTL1
SCHEMBL14010347 0.87 THRB (0.67) THRBTHRAKMT2AMEN1LMNA
SCHEMBL15582417 0.87 THRB (0.49) THRBKMT2ALMNAHPGDL3MBTL1
SCHEMBL12404405 0.86 THRB (0.67) THRBTHRAKMT2AMEN1LMNA
SCHEMBL14088484 0.86 THRB (0.65) THRBTHRAKMT2AMEN1LMNA
SCHEMBL13614369 0.85 THRB (0.86) THRBTHRAKMT2AMEN1LMNA
SCHEMBL16900323 0.85 THRB (0.47) THRBLMNAHPGDTSHRALDH1A1

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-20150029446-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICAL ANISOTROPIC FILM JNC PETROCHEMICAL CORPORATION (JP) 2015-01-29 US disclosed