SCHEMBL14192571

SCHEMBL14192571

C=CC(=O)Cc1ccc2cc(OC(=O)c3ccc(-c4ccc(CCCC)cc4)cc3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.50
THRA P10827 5/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RARB P10826 6/20 0.45
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
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
SCHEMBL14192532 0.89 THRB (0.59) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192453 0.87 THRB (0.61) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192520 0.83 THRB (0.58) THRBTHRAMEN1KMT2AMAPT
SCHEMBL3618792 0.80 THRB (0.76) THRBTHRAMEN1KMT2ARARB
SCHEMBL11547222 0.80 RARB (0.64) THRBTHRAMEN1KMT2ARARB
SCHEMBL11553184 0.80 RARB (0.64) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192438 0.80 THRB (0.71) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192345 0.79 THRB (0.62) THRBTHRAMEN1KMT2AMAPT
SCHEMBL4578912 0.79 THRB (0.71) THRBTHRAMEN1KMT2ARARB
SCHEMBL11548012 0.78 RARB (0.60) THRBTHRAMEN1KMT2ARARB

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