SCHEMBL4191740

SCHEMBL4191740

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
CA12 O43570 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA1 P00915 2/20 0.47
MAPT P10636 2/20 0.45
BACE1 P56817 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
GRM5 P41594 2/20 0.42
FFAR1 O14842 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6915646 0.81 APP (0.43) APPCA12CA2CA9CA1
SCHEMBL5531506 0.79 BACE1 (0.64) MAPTBACE1KDM4EMEN1ALDH1A1
SCHEMBL5525269 0.77 APP (0.52) APPCA12CA2CA9CA1
SCHEMBL5949303 0.77 APP (0.75) APPCA12CA2CA9CA1
SCHEMBL5530423 0.75 APP (0.50) APPCA12CA2CA9CA1
SCHEMBL13567210 0.75 APP (0.50) APPCA12CA2CA9CA1
SCHEMBL6670459 0.75 APP (0.50) APPCA12CA2CA9CA1
SCHEMBL4851039 0.75 APP (0.50) APPCA12CA2CA9CA1
SCHEMBL5886608 0.74 APP (0.71) APPCA12CA2CA9CA1
SCHEMBL2114741 0.74 APP (0.92) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635741-B2 Curable polyacetylenes used as dielectrics in making microelectronics such as integrated circuits DOW GLOBAL TECHNOLOGIES INC. 2009-12-22 US disclosed
US-20040053033-A1 Multifunctional monomers and their use in making cross-linked polymers and porous films NIU Q JASON (US) 2004-03-18 US disclosed