SCHEMBL3798644

SCHEMBL3798644

O=C(C#Cc1ccccc1)c1cc(O)cc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.59
HSP90AA1 P07900 5/20 0.53
NPSR1 Q6W5P4 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
OPRK1 P41145 2/20 0.53
HTT P42858 2/20 0.53
MITF O75030 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
S1PR2 O95136 1/20 0.49
APP P05067 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
AGTR1 P30556 1/20 0.49
PAX8 Q06710 1/20 0.49
TLR9 Q9NR96 1/20 0.49
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL13077424 0.85 VCP (0.54) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL13077427 0.83 VCP (0.71) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL10625119 0.82 VCP (0.81) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL978641 0.82 VCP (0.75) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL9124703 0.81 HSP90AA1 (0.69) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL2504118 0.80 VCP (0.57) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL13077510 0.79 APP (0.69) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL30114938 0.79 VCP (0.60) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL2662872 0.79 VCP (0.60) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL15827905 0.78 APP (0.39) VCPHSP90AA1NPSR1ALDH1A1MAPT

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-2391666-B1 CROSS-LINKABLE AROMATIC POLYCARBONATE NEXAM CHEMICAL AB (SE) 2013-08-28 EP disclosed
EP-2391666-B1 CROSS-LINKABLE AROMATIC POLYCARBONATE NEXAM CHEMICAL AB (SE) 2013-08-28 EP disclosed
WO-2010086385-A9 CROSS-LINKABLE AROMATIC POLYCARBONATE NEXAM CHEMICALS AB (SE) 2010-10-07 WO disclosed
WO-2010086385-A9 CROSS-LINKABLE AROMATIC POLYCARBONATE NEXAM CHEMICALS AB (SE) 2010-10-07 WO disclosed
WO-2010086385-A1 CROSS-LINKABLE AROMATIC POLYCARBONATE NEXAM CHEMICALS AB (SE) 2010-08-05 WO disclosed
WO-2010086385-A1 CROSS-LINKABLE AROMATIC POLYCARBONATE NEXAM CHEMICALS AB (SE) 2010-08-05 WO disclosed
WO-2010072760-A1 ACETYLENIC AROMATIC POLYETHERKETONE NEXAM CHEMICAL AB (SE) 2010-07-01 WO disclosed