SCHEMBL14192546

SCHEMBL14192546

C=CC(=O)c1ccc(OCOc2ccc3cc(C(=O)Oc4ccc(C(=O)C=C)cc4)ccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
EGFR P00533 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
JAK1 P23458 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
HGFAC Q04756 2/20 0.39

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
SCHEMBL14192596 0.96 MAPT (0.44) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL14192470 0.89 ALDH5A1 (0.46) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL14192469 0.89 ALDH5A1 (0.46) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL14192557 0.87 THRB (0.38) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL12242718 0.85 THRB (0.40) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL9906563 0.84 THRB (0.41) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL14192588 0.83 NPC1 (0.38) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL12733745 0.83 KMT2A (0.42) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL17754319 0.82 KMT2A (0.41) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL14192434 0.82 KMT2A (0.39) MAPTKMT2AMEN1ALDH1A1TDP1

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