SCHEMBL14192560

SCHEMBL14192560

C=CC(=O)c1ccc2c(c1)C(C)c1cc(C#Cc3ccc(CCC)cc3)ccc1-2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.54
THRA P10827 6/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ACACB O00763 3/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
FFAR1 O14842 3/20 0.35
PLK1 P53350 1/20 0.35
KDM1A O60341 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL14192593 0.86 ALDH5A1 (0.41) THRBTHRAKMT2AMEN1ALDH1A1
SCHEMBL14192330 0.82 THRB (0.81) THRBTHRAKMT2AMEN1ACACB
SCHEMBL14192426 0.78 THRB (0.74) THRBTHRAKMT2AMEN1ACACB
SCHEMBL14192418 0.78 THRB (0.74) THRBTHRAKMT2AMEN1ACACB
SCHEMBL14219187 0.77 ALDH5A1 (0.43) THRBTHRAKMT2AMEN1ALDH1A1
SCHEMBL14192583 0.76 RARB (0.45) THRBTHRAKMT2AMEN1
SCHEMBL14192575 0.74 THRB (0.65) THRBTHRAKMT2AMEN1ALDH1A1
SCHEMBL4904680 0.73 THRB (1.00) THRBTHRAKMT2AMEN1NPC1
SCHEMBL1493916 0.73 THRB (0.83) THRBTHRAKMT2AMEN1
SCHEMBL14192556 0.71 THRB (0.61) THRBTHRAKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7357964-B2 Liquid-crystalline vinyl ketone derivatives and their polymers CHISSO CORPORATION (JP) 2008-04-15 US disclosed
US-7357964-B2 Liquid-crystalline vinyl ketone derivatives and their polymers CHISSO CORPORATION (JP) 2008-04-15 US disclosed