SCHEMBL6536454

SCHEMBL6536454

CCC1([SiH2]c2ccccc2)CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL28060933 0.84 DPP4 (0.40)
SCHEMBL4563274 0.80 MEN1 (0.37) ALDH1A1L3MBTL1
SCHEMBL9302212 0.79
SCHEMBL19921938 0.79
SCHEMBL463561 0.78 MEN1 (0.31) ALDH1A1L3MBTL1
SCHEMBL29214630 0.76 TSHR (0.34) TSHR
SCHEMBL251108 0.75 TRPA1 (0.30)
SCHEMBL28187490 0.73
SCHEMBL9069045 0.72
SCHEMBL999023 0.71 MEN1 (0.30)

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
EP-1337897-A4 PHOTOPATTERNABLE SORBENT AND FUNCTIONALIZED FILMS BATTELLE MEMORIAL INSTITUTE (US) 2004-08-04 EP disclosed
EP-1337897-A2 PHOTOPATTERNABLE SORBENT AND FUNCTIONALIZED FILMS BATTELLE MEMORIAL INSTITUTE (US) 2003-08-27 EP disclosed
WO-2002036652-A2 PHOTOPATTERNABLE SORBENT AND FUNCTIONALIZED FILMS BATTELLE MEMORIAL INSTITUTE (US) 2002-05-10 WO disclosed