SCHEMBL8023976

SCHEMBL8023976

C=C1C(=O)C2=C(OC(C)(C)CC2)c2cc(C)c3ccccc3c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 9/20 0.55
IDO1 P14902 3/20 0.55
LMNA P02545 3/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
CES2 O00748 1/20 0.55
GMNN O75496 1/20 0.55
TDP2 O95551 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
GLA P06280 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
HSPD1 P10809 1/20 0.55
THRB P10828 1/20 0.55
CYP2C9 P11712 1/20 0.55
NQO1 P15559 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL3332312 0.89 MALT1 (0.63) MALT1IDO1LMNAKDM4EMEN1
SCHEMBL8186444 0.79 MALT1 (0.76) MALT1IDO1LMNAKDM4EMEN1
SCHEMBL15034364 0.74 MALT1 (0.76) MALT1IDO1LMNAKDM4EMEN1
SCHEMBL8055259 0.74 MALT1 (0.49) MALT1IDO1LMNAKDM4EMEN1
SCHEMBL5940394 0.72 MALT1 (0.74) MALT1IDO1LMNAKDM4EMEN1
Lapachone SCHEMBL29351050 0.72 MALT1 (1.00) MALT1IDO1LMNAKDM4EMEN1
Lapachone SCHEMBL107042 0.72 MALT1 (1.00) MALT1IDO1LMNAKDM4EMEN1
Alpha-Lapachone SCHEMBL29355317 0.70 IDO1 (1.00) MALT1IDO1LMNAKDM4EMEN1
Alpha-Lapachone SCHEMBL102553 0.70 IDO1 (1.00) MALT1IDO1LMNAKDM4EMEN1
SCHEMBL25704068 0.69 MALT1 (0.59) MALT1IDO1LMNAKDM4EMEN1

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-2009048251-A2 PHARMACEUTICAL COMPOSITION CONTAINING MICRONIZED PARTICLES OF NAPHTHOQUINONE-BASED COMPOUND MAZENCE INC. (KR) 2009-04-16 WO disclosed