SCHEMBL14192581

SCHEMBL14192581

C=CC(=O)c1ccc(C#Cc2ccc3cc(OC(=O)C4CCC(CCCCC)CC4)ccc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.38
THRA P10827 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACACB O00763 3/20 0.36
MAPT P10636 2/20 0.35
ELANE P08246 1/20 0.33
BCHE P06276 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 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
SCHEMBL14192321 0.86 THRB (0.47) THRBTHRAMEN1KMT2AMAPT
SCHEMBL14192403 0.83 THRB (0.44) THRBTHRAMEN1KMT2AELANE
SCHEMBL14192424 0.83 THRB (0.44) THRBTHRAMEN1KMT2AMAPT
SCHEMBL14192548 0.82 THRB (0.38) THRBTHRAMEN1KMT2AL3MBTL1
SCHEMBL11589092 0.81 L3MBTL1 (0.43) MEN1KMT2AL3MBTL1MAPTBCHE
SCHEMBL11589096 0.81 L3MBTL1 (0.43) MEN1KMT2AL3MBTL1MAPTBCHE
SCHEMBL14192574 0.81 CYP2C9 (0.43) THRBTHRAMEN1KMT2AMAPT
SCHEMBL10606171 0.81 MGLL (0.43) MEN1KMT2AL3MBTL1MAPTBCHE
SCHEMBL10606185 0.81 MGLL (0.43) MEN1KMT2AL3MBTL1MAPTBCHE
SCHEMBL14192531 0.80 THRB (0.37) THRBTHRAMEN1KMT2AMAPT

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