SCHEMBL8055259

SCHEMBL8055259

C=C1C(=O)C2=C(OC(C)(C)CC2)c2ccc3c(c21)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 9/20 0.49
CES1 P23141 8/20 0.49
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
RECQL P46063 4/20 0.49
KMT2A Q03164 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
IDO1 P14902 3/20 0.49
CES2 O00748 3/20 0.49
HIF1A Q16665 3/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP3A4 P08684 2/20 0.49
THRB P10828 2/20 0.49
BLM P54132 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GMNN O75496 1/20 0.49

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
SCHEMBL25704232 0.91 MALT1 (0.47) MALT1CES1KDM4EMEN1ALDH1A1
SCHEMBL3331799 0.89 MALT1 (0.56) MALT1CES1KDM4EMEN1ALDH1A1
SCHEMBL8186444 0.74 MALT1 (0.76) MALT1CES1KDM4EMEN1ALDH1A1
SCHEMBL8023976 0.74 MALT1 (0.55) MALT1CES1KDM4EMEN1ALDH1A1
SCHEMBL15034364 0.69 MALT1 (0.76) MALT1CES1KDM4EMEN1ALDH1A1
SCHEMBL25704068 0.69 MALT1 (0.59) MALT1CES1KDM4EMEN1ALDH1A1
SCHEMBL5940394 0.67 MALT1 (0.74) MALT1CES1KDM4EMEN1ALDH1A1
Lapachone SCHEMBL107042 0.67 MALT1 (1.00) MALT1CES1KDM4EMEN1ALDH1A1
Lapachone SCHEMBL29351050 0.67 MALT1 (1.00) MALT1CES1KDM4EMEN1ALDH1A1
SCHEMBL5940435 0.66 MALT1 (0.75) MALT1CES1KDM4EMEN1ALDH1A1

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
WO-2008066296-A1 PHARMACEUTICAL COMPOSITION CONTAINING PHENANTHRENEQUINONE-BASED COMPOUND FOR INTESTINE DELIVERY SYSTEM MAZENCE INC. (KR) 2008-06-05 WO disclosed