SCHEMBL8883263

SCHEMBL8883263

CCCCCCc1ccc(C(=O)CNC(=O)c2ccc(OC(C)=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
THRB P10828 8/20 0.53
THRA P10827 7/20 0.53
HAO1 Q9UJM8 1/20 0.51
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
PLK1 P53350 2/20 0.47
PLK3 Q9H4B4 1/20 0.47
TRPV1 Q8NER1 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
SCHEMBL8883017 0.89 THRA (0.63) THRBTHRAHAO1KMT2AMEN1
SCHEMBL8769358 0.88 PLK1 (0.57) NPC1RAB9ATHRBTHRAHAO1
SCHEMBL8882509 0.85 RARB (0.47) THRBTHRAHAO1PLK1PLK3
SCHEMBL3043815 0.83 THRB (0.68) SMN1; SMN2THRBTHRAKMT2AMEN1
SCHEMBL7930197 0.83 THRB (0.68) SMN1; SMN2THRBTHRAKMT2AMEN1
SCHEMBL8086401 0.83 THRB (0.68) SMN1; SMN2THRBTHRAKMT2AMEN1
SCHEMBL1248565 0.83 THRB (0.68) SMN1; SMN2THRBTHRAKMT2AMEN1
SCHEMBL8080349 0.83 THRB (0.68) SMN1; SMN2THRBTHRAKMT2AMEN1
SCHEMBL8072596 0.83 THRB (0.68) SMN1; SMN2THRBTHRAKMT2AMEN1
SCHEMBL7931204 0.83 PLK1 (0.55) NPC1RAB9AKMT2AL3MBTL1MEN1

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
US-5595685-A THIAZOLE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 1997-01-21 US disclosed
EP-0439170-B1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KK (JP) 1995-04-19 EP disclosed
EP-0439170-A2 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KABUSHIKI KAISHA (JP) 1991-07-31 EP disclosed