SCHEMBL5283014

SCHEMBL5283014

C=CCc1ccc2c(c1)C(CC(C)CC)(CC(C)CC)c1cc([Si](C)(C)C)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
MAPT P10636 2/20 0.33
CNR2 P34972 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH2 P05091 1/20 0.33
GAA P10253 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARA Q07869 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
XDH P47989 1/20 0.31

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
SCHEMBL5498380 0.79 PDK2 (0.32)
SCHEMBL5501884 0.79 PDK2 (0.32)
SCHEMBL5322370 0.78 NPC1 (0.31) GAA
SCHEMBL5284230 0.77 ATM (0.30) ALDH1A1MAPTNPSR1
SCHEMBL5503913 0.76
SCHEMBL5503192 0.76
SCHEMBL5502525 0.75
SCHEMBL5498910 0.72
SCHEMBL5663449 0.71
SCHEMBL5498599 0.71 PDK2 (0.32)

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-20070111027-A1 Light-emitting organic materials NATIONAL SCIENCE FOUNDATION 2007-05-17 US disclosed
WO-2007016454-A2 LIGHT-EMITTING ORGANIC MATERIALS UNIVERSITY OF ROCHESTER (US) 2007-02-08 WO disclosed