SCHEMBL2486090

SCHEMBL2486090

C=CCc1ccc2c[c][nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
GABRA1 P14867 4/20 0.42
GABRB2 P47870 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 3/20 0.42
CNR2 P34972 3/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
CNR1 P21554 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH2 P05091 1/20 0.42
AKR1B1 P15121 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PPARA Q07869 1/20 0.40
CYP3A4 P08684 4/20 0.39
CYP1A2 P05177 1/20 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
SCHEMBL17844546 0.87 XDH (0.44) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL4693144 0.76 MEN1 (0.31) MEN1KMT2A
SCHEMBL3259762 0.74 XDH (0.58) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL7555913 0.72 XDH (0.56) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL7266407 0.70 XDH (0.42) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL7043823 0.70 XDH (0.54) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL253471 0.70 XDH (0.54) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL11494827 0.70 XDH (0.54) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL198193 0.70 XDH (0.54) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL7055734 0.70 XDH (0.54) XDHALDH1A1MAPTGABRA1GABRB2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542238-A1 COMPOUNDS FOR IMMUNOPROTEASOME INHIBITION Onyx Therapeutics, Inc. (US) 2013-01-09 EP claimed
WO-2011109355-A1 COMPOUNDS FOR IMMUNOPROTEASOME INHIBITION ONYX THERAPEUTICS, INC. (US) 2011-09-09 WO claimed
EP-2041158-A2 PEPTIDE EPOXYKETONES FOR PROTEASOME INHIBITION Proteolix, Inc. (US) 2009-04-01 EP claimed
WO-2007149512-A2 PEPTIDE EPOXYKETONES FOR PR0TEAS0ME INHIBITION PROTEOLIX, INC. (US) 2007-12-27 WO claimed
EP-2207791-A1 CRYSTALLINE PEPTIDE EPOXY KETONE PROTEASE INHIBITORS AND THE SYNTHESIS OF AMINO ACID KETO-EPOXIDES Onyx Therapeutics, Inc. (US) 2010-07-21 EP disclosed
WO-2009045497-A1 CRYSTALLINE PEPTIDE EPOXY KETONE PROTEASE INHIBITORS AND THE SYNTHESIS OF AMINO ACID KETO-EPOXIDES PROTEOLIX, INC. (US) 2009-04-09 WO disclosed
WO-2003101381-A2 1,2 DIAMIDO CYCLOALKYL SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2003-12-11 WO disclosed