SCHEMBL15313455

SCHEMBL15313455

COc1ccc(COC(=O)CCc2ccccc2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
ALOX5 P09917 2/20 0.55
POLB P06746 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 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
SCHEMBL491128 0.86 ALOX5 (0.64) MAPTALOX5POLBTDP1NPC1
SCHEMBL30006546 0.85 ALDH1A1 (0.52) ALOX5POLBTDP1NPC1RAB9A
SCHEMBL29081751 0.82 POLB (0.48) POLBTDP1ALDH1A1TSHRKMT2A
SCHEMBL305162 0.81 MAPT (0.68) MAPTALOX5TDP1NPC1RAB9A
SCHEMBL26023562 0.81 MAPT (0.68) MAPTALOX5TDP1NPC1RAB9A
SCHEMBL8865449 0.81 APLNR (0.56) POLBALDH1A1TSHRKMT2AMEN1
SCHEMBL5834513 0.80 ALDH1A1 (0.46) POLBTDP1ALDH1A1TSHRKMT2A
SCHEMBL8865459 0.80 APLNR (0.51) POLBALDH1A1KMT2AMEN1
SCHEMBL12285134 0.79 TSHR (0.49) MAPTPOLBTDP1NPC1ALDH1A1
SCHEMBL490819 0.79 ALOX5 (0.64) MAPTALOX5POLBTDP1ALDH1A1

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-8557780-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2013-10-15 US disclosed