SCHEMBL3233603

SCHEMBL3233603

C[Si](C)(C)C(CCCCCCCCCCCCCCCCCP(=O)(O)O)[Si](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.50
LPAR2 Q9HBW0 1/20 0.50
FDPS P14324 5/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TYMS P04818 1/20 0.44
S1PR2 O95136 5/20 0.43
S1PR1 P21453 5/20 0.43
S1PR3 Q99500 5/20 0.43
S1PR4 O95977 4/20 0.43
BBOX1 O75936 1/20 0.39
ENPEP Q07075 1/20 0.38
LAP3 P28838 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL15421405 1.00 LPAR3 (0.50) LPAR3LPAR2FDPSALDH1A1TDP1
SCHEMBL16615962 0.91 ALDH1A1 (0.54) LPAR3LPAR2FDPSALDH1A1TDP1
SCHEMBL8463447 0.82 FDPS (0.42) FDPSALDH1A1TDP1TYMSS1PR2
SCHEMBL19212013 0.78 FDPS (0.64) LPAR3LPAR2FDPSALDH1A1TDP1
SCHEMBL15995174 0.76 LPAR3 (0.62) LPAR3LPAR2FDPSS1PR2S1PR1
SCHEMBL1100535 0.76 LPAR3 (0.56) LPAR3LPAR2FDPSALDH1A1TDP1
SCHEMBL1101281 0.76 LPAR3 (0.56) LPAR3LPAR2FDPSALDH1A1TDP1
SCHEMBL1100677 0.76 LPAR3 (0.56) LPAR3LPAR2FDPSALDH1A1TDP1
SCHEMBL1100638 0.76 LPAR3 (0.56) LPAR3LPAR2FDPSALDH1A1TDP1
SCHEMBL1099485 0.76 LPAR3 (0.56) LPAR3LPAR2FDPSALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010014526-A2 CHEMICAL MODIFICATION OF NANOCRYSTAL SURFACES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-04 WO disclosed