SCHEMBL1086629

SCHEMBL1086629

C[Si](C)(C)c1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
GRM5 P41594 7/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL6274089 0.94 GRM5 (0.42) APPGRM5KCNH2
SCHEMBL4737005 0.82 GRM5 (0.49) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9390799 0.82 ACHE (0.36) GRM5KCNH2
SCHEMBL7638010 0.82 ACHE (0.36) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL456129 0.80 APP (0.57) APPGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL12344492 0.77 CLK4 (0.46) GRM5
SCHEMBL7632264 0.77 ACHE (0.42) CYP3A4
SCHEMBL4734252 0.77 CA12 (0.41) ALDH1A1LMNACA12CA1CA2
SCHEMBL6364777 0.77 APP (0.75) APPGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL23867871 0.75 APP (0.50) APPGRM5NPC1RAB9ASMN1; SMN2

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
US-8153726-B2 Highly oxygen permeable rigid contact lenses from polyacetylenes THE LAGADO CORPORATION (US) 2012-04-10 US disclosed
WO-2007041166-A2 HIGHLY OXYGEN PERMEABLE RIGID CONTACT LENSES FROM POLYACETYLENES THE LAGADO CORPORATION (US) 2007-04-12 WO disclosed
US-20070078245-A1 Highly Oxygen Permeable Rigid Contact Lenses from Polyacetylenes THE LAGADO CORPORATION (US) 2007-04-05 US disclosed