SCHEMBL6002045

SCHEMBL6002045

C#CC(=O)Oc1ccccc1CC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
PTGS2 P35354 1/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL27907606 0.84 PNMT (0.38) THRATHRBPTGS2TSHRKDM4E
SCHEMBL28929275 0.82 PTGS2 (0.35) L3MBTL1THRATHRBPTGS2TSHR
SCHEMBL27920391 0.81 L3MBTL1 (0.54) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL28008692 0.79 PTGS2 (0.42) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL29587376 0.79 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL47950 0.79 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL7064536 0.79 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL28129455 0.78 TDP1 (0.44) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL28118337 0.78 CA1 (0.50) L3MBTL1MAPTTSHRHSD17B10ATM
SCHEMBL30850062 0.77 PTGS2 (0.55) L3MBTL1MAPTNPSR1PTGS2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252906-A1 Method of synthesis of polyarylenes and the polyarylenes made by such method GODSCHALX JAMES P 2006-11-09 US disclosed
WO-2004073824-A2 METHOD OF SYNTHESIS OF POLYARYLENES AND THE POLYARYLENES MADE BY SUCH METHOD DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-02 WO disclosed
EP-0489877-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 2-AMINO-6-PHENYL-4H-PYRAN-4-ONES UPJOHN CO (US) 1995-09-20 EP disclosed
US-5302613-A Antiatheroscleroic and antithrombotic 2-amino-6-phenyl-4H-pyran-4-ones THE UPJOHN COMPANY (US) 1994-04-12 US disclosed
US-5252735-A Antiatherosclerotic and antithrombotic 2-amino-6-phenyl-4H-pyran-4-ones THE UPJOHN COMPANY (US) 1993-10-12 US disclosed