SCHEMBL5530423

SCHEMBL5530423

O=C1C(c2ccccc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(C#Cc3ccccc3)cc2)=C1c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
MAPT P10636 1/20 0.45
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
KCNH2 Q12809 1/20 0.43
GRM5 P41594 2/20 0.42
FFAR1 O14842 3/20 0.41
PDE4B Q07343 1/20 0.41
NPC1 O15118 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40

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
SCHEMBL4851039 1.00 APP (0.50) APPCA12CA2CA9CA1
SCHEMBL13567210 1.00 APP (0.50) APPCA12CA2CA9CA1
SCHEMBL6670459 1.00 APP (0.50) APPCA12CA2CA9CA1
SCHEMBL5525269 0.98 APP (0.52) APPCA12CA2CA9CA1
SCHEMBL13567203 0.93 APP (0.43) APPCA12CA2CA9CA1
SCHEMBL13567265 0.91 ESR1 (0.57) APPCA12CA2CA9CA1
SCHEMBL13567264 0.91 ESR1 (0.57) APPCA12CA2CA9CA1
SCHEMBL14586721 0.91 ESR1 (0.57) APPCA12CA2CA9CA1
SCHEMBL14586722 0.91 CYP1A1 (0.44) APPCA12CA2CA9CA1
SCHEMBL13567263 0.91 CYP1A1 (0.44) APPCA12CA2CA9CA1

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
US-20070027280-A1 Multifunctional substituted monomers and polyarylene compositions therefrom HAHNFELD JERRY L 2007-02-01 US claimed
JP-2006525413-A 2006-11-09 JP claimed
WO-2004090018-A1 MULTIFUNCTIONAL SUBSTITUTED MONOMERS AND POLYARYLENE COMPOSITIONS THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-10-21 WO claimed
US-20070027280-A1 Multifunctional substituted monomers and polyarylene compositions therefrom HAHNFELD JERRY L 2007-02-01 US disclosed
US-20070027280-A1 Multifunctional substituted monomers and polyarylene compositions therefrom HAHNFELD JERRY L 2007-02-01 US disclosed
US-20070027280-A1 Multifunctional substituted monomers and polyarylene compositions therefrom HAHNFELD JERRY L 2007-02-01 US disclosed
WO-2004090018-A1 MULTIFUNCTIONAL SUBSTITUTED MONOMERS AND POLYARYLENE COMPOSITIONS THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-10-21 WO disclosed