SCHEMBL8883017

SCHEMBL8883017

CCCCCCCCCc1ccc(C(=O)CNC(=O)c2ccc(CCCCCC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.63
THRB P10828 10/20 0.63
HAO1 Q9UJM8 1/20 0.62
PLK1 P53350 1/20 0.58
TRPV1 Q8NER1 1/20 0.55
RARB P10826 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
RARA P10276 1/20 0.55
MAPT P10636 1/20 0.55
MTOR P42345 1/20 0.55

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
SCHEMBL8769358 0.91 PLK1 (0.57) THRATHRBHAO1PLK1
SCHEMBL8883263 0.89 NPC1 (0.54) THRATHRBHAO1PLK1TRPV1
SCHEMBL8884118 0.88 RARB (0.59) THRATHRBHAO1PLK1TRPV1
SCHEMBL9215324 0.88 RARB (0.59) THRATHRBHAO1PLK1TRPV1
SCHEMBL28562555 0.86 THRA (0.64) THRATHRBHAO1PLK1TRPV1
SCHEMBL12638341 0.85 SPHK1 (0.57) THRATHRBHAO1PLK1TRPV1
SCHEMBL8947232 0.85 PLK1 (0.55) THRATHRBHAO1PLK1TRPV1
SCHEMBL15174084 0.85 PLK1 (0.55) THRATHRBHAO1PLK1TRPV1
SCHEMBL7931204 0.85 PLK1 (0.55) PLK1MEN1KMT2AALDH1A1MAPT
SCHEMBL9491031 0.84 L3MBTL1 (0.71) THRATHRBPLK1RARBMEN1

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