SCHEMBL14192573

SCHEMBL14192573

C=CC(=O)c1ccc2cc(OCc3ccc(-c4ccc(CCCCC)cc4)cc3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.60
THRA P10827 5/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SMPD1 P17405 1/20 0.49
RARB P10826 5/20 0.48
ALDH1A1 P00352 1/20 0.47
RARA P10276 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47

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
SCHEMBL14192539 0.87 THRB (0.70) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192353 0.86 THRB (0.76) THRBTHRAMEN1KMT2A
SCHEMBL14192532 0.83 THRB (0.59) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192473 0.82 THRB (0.72) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192545 0.81 THRB (0.61) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192556 0.81 THRB (0.61) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192423 0.81 THRB (0.68) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL10462600 0.81 THRB (0.91) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192407 0.81 THRB (0.91) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192458 0.81 THRB (0.73) 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