SCHEMBL6864962

SCHEMBL6864962

C[Si](C)(C)C#Cc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
HPGD P15428 6/20 0.46
HSD17B10 Q99714 5/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 5/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
THRB P10828 1/20 0.38
KDM4E B2RXH2 6/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 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
SCHEMBL6866809 0.86 CYP1A2 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL26259699 0.79 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL28592799 0.77 CYP1A2 (0.48) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL18081447 0.76 ELANE (0.40) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL28287439 0.76 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL5012545 0.76 GRM5 (0.49) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL10103849 0.75 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL12405322 0.75 KDM4E (0.39) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL20534467 0.74 CYP1A2 (0.41) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL30620185 0.74 CYP1A2 (0.41) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797390-B2 PHOSPHOR BONDED TO ACETYLENE COPOLYMER NATIONAL AEROSPACE LABORATORY OF JAPAN (JP) 2004-09-28 US claimed
US-20030175511-A1 Functional polymer with supported pressure-sensitive luminophore, and pressure-sensitive paint and pressure-sensitive element using same NATIONAL AEROSPACE LABORATORY (JP) 2003-09-18 US claimed
CN-109485868-B 1,3,6,8-tetra (ethynyl) pyrene-based polymer and preparation method thereof 台州学院 2021-01-29 CN disclosed
CN-102584851-A Organic semiconductor compound, and transistor and electronic device including the same SAMSUNG ELECTRONICS CO LTD 2012-07-18 CN disclosed
US-6797390-B2 PHOSPHOR BONDED TO ACETYLENE COPOLYMER NATIONAL AEROSPACE LABORATORY OF JAPAN (JP) 2004-09-28 US disclosed
US-20030175511-A1 Functional polymer with supported pressure-sensitive luminophore, and pressure-sensitive paint and pressure-sensitive element using same NATIONAL AEROSPACE LABORATORY (JP) 2003-09-18 US disclosed