SCHEMBL5072017

SCHEMBL5072017

O=C(c1ccc(O)cc1)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
MEN1 O00255 2/20 0.62
RAB9A P51151 2/20 0.62
KMT2A Q03164 2/20 0.62
ESR1 P03372 1/20 0.60
ESR2 Q92731 1/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
SRD5A2 P31213 2/20 0.57
CES2 O00748 1/20 0.52
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LIG1 P18858 1/20 0.50
HNF4A P41235 1/20 0.49
FFAR1 O14842 1/20 0.48
APP P05067 3/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL13284133 0.92 LMNA (0.71) LMNAMAPTMEN1RAB9AKMT2A
SCHEMBL13284020 0.91 MEN1 (0.56) LMNAMAPTMEN1RAB9AKMT2A
SCHEMBL1744898 0.90 ALDH1A1 (0.64) LMNAMAPTMEN1RAB9AKMT2A
SCHEMBL13284014 0.87 HNF4A (0.49) LMNAMAPTMEN1RAB9AKMT2A
SCHEMBL717647 0.85 APP (0.67) LMNAMAPTMEN1RAB9AKMT2A
SCHEMBL18549484 0.85 APP (0.67) LMNAMAPTMEN1RAB9AKMT2A
SCHEMBL7938553 0.83 MEN1 (0.86) LMNAMAPTMEN1RAB9AKMT2A
SCHEMBL9400453 0.83 MEN1 (0.86) LMNAMAPTMEN1RAB9AKMT2A
SCHEMBL124916 0.83 MEN1 (0.86) LMNAMAPTMEN1RAB9AKMT2A
Benzophenone SCHEMBL27537831 0.83 MEN1 (0.86) LMNAMAPTMEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373721-B1 ACETYLENIC AROMATIC POLYETHERKETONE NEXAM CHEMICAL AB (SE) 2014-06-25 EP disclosed
WO-2010072760-A1 ACETYLENIC AROMATIC POLYETHERKETONE NEXAM CHEMICAL AB (SE) 2010-07-01 WO disclosed
US-7345135-B2 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2008-03-18 US disclosed