SCHEMBL14192556

SCHEMBL14192556

C=CC(=O)c1ccc2cc(C#Cc3ccc(-c4ccc(CCCCC)cc4)cc3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.61
THRA P10827 6/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
RARB P10826 7/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
RARA P10276 1/20 0.48
MTOR P42345 1/20 0.48
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EGFR P00533 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL14192575 0.97 THRB (0.65) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL14192545 0.96 THRB (0.61) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192539 0.88 THRB (0.70) THRBTHRAMEN1KMT2ARARB
SCHEMBL1493916 0.86 THRB (0.83) THRBTHRAMEN1KMT2APLA2G1B
SCHEMBL14192505 0.83 MEN1 (0.51) THRBTHRAMEN1KMT2ARARB
SCHEMBL10462600 0.82 THRB (0.91) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192407 0.82 THRB (0.91) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192567 0.81 RARB (0.51) THRBTHRARARBTSHRTP53
SCHEMBL14192573 0.81 THRB (0.60) THRBTHRAMEN1KMT2ARARB
SCHEMBL14192418 0.81 THRB (0.74) 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