SCHEMBL14192531

SCHEMBL14192531

C=CC(=O)c1ccc2c(c1)Cc1cc(OC(=O)C3CCC(CCCCC)CC3)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.37
THRA P10827 5/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
LSS P48449 1/20 0.35
ELANE P08246 1/20 0.34
F2 P00734 1/20 0.34
CA2 P00918 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
ACHE P22303 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
SCHEMBL14192519 0.85 ITGB3 (0.38) THRBTHRAMAPTGAA
SCHEMBL14192403 0.83 THRB (0.44) THRBTHRAMEN1KMT2AELANE
SCHEMBL14192424 0.83 THRB (0.44) THRBTHRAMEN1KMT2AMAPT
SCHEMBL14192580 0.83 CYP2C9 (0.40) THRBTHRAMEN1KMT2AMAPT
SCHEMBL14192548 0.82 THRB (0.38) THRBTHRAMEN1KMT2AMAPT
SCHEMBL14192581 0.80 THRB (0.38) THRBTHRAMEN1KMT2AMAPT
SCHEMBL14192565 0.79 CYP2C9 (0.40) THRBTHRAMEN1KMT2AMAPT
SCHEMBL14192324 0.78 ELANE (0.47) THRBTHRAMEN1KMT2AMAPT
SCHEMBL3620302 0.78 THRB (0.54) 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