SCHEMBL6006591

SCHEMBL6006591

C[Si](C)(C)C#Cc1ccc(/C=C/c2ccc(C#C[Si](C)(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.37
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
MAPT P10636 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6006594 1.00 FFAR1 (0.37) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL1306384 0.85 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29169717 0.83 ALDH1A1 (0.41) FFAR1CYP3A4
SCHEMBL1306505 0.83 APP (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6517721 0.83 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL701214 0.83 CYP2A6 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL436135 0.83 ALDH1A1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19859078 0.82 FFAR1 (0.65) FFAR1MAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL12192057 0.82 RAB9A (0.33) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL2498593 0.82 RAB9A (0.33) FFAR1GABRA1GABRG2GABRB3GABRA5

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-7084231-B2 Polyarylene compounds, polymers thereof, and electroluminescence element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2006-08-01 US disclosed
US-20050176915-A1 Polyarylene compounds, polymers thereof, and electroluminescence element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-08-11 US disclosed