SCHEMBL7587131

SCHEMBL7587131

CCO[Si](O)(CCP(=O)(O)O)OCC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.37
LPAR2 Q9HBW0 1/20 0.37
TYMS P04818 1/20 0.35
PPARD Q03181 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
BBOX1 O75936 1/20 0.31
GRM4 Q14833 1/20 0.31
S1PR2 O95136 2/20 0.31
S1PR4 O95977 2/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 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
SCHEMBL18832098 0.83 LPAR3 (0.37) LPAR3LPAR2TYMSPPARDALDH1A1
SCHEMBL402749 0.80 LPAR3 (0.38) LPAR3LPAR2TYMSPPARDALDH1A1
SCHEMBL1060704 0.75
SCHEMBL20875719 0.75 LPAR3 (0.43) LPAR3LPAR2TYMSALDH1A1TDP1
SCHEMBL7021919 0.72 LPAR3 (0.45) LPAR3LPAR2TYMSALDH1A1TDP1
Diethylamine SCHEMBL27846392 0.72 S1PR2 (0.34) LPAR3LPAR2TYMSPPARDS1PR2
SCHEMBL16268290 0.71 GRM4 (0.34) LPAR3LPAR2GRM4
SCHEMBL20875716 0.71 LPAR3 (0.48) LPAR3LPAR2TYMSALDH1A1TDP1
SCHEMBL3790944 0.71
SCHEMBL22370095 0.69 LPAR3 (0.52) LPAR3LPAR2TYMSALDH1A1TDP1

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-6197986-B1 PHOSPHATO- OR PHOSPHONOALKYLSILANEDIOLS, TRIOLS; DRUGS, COSMETICS EXSYMOL S.A.M. (FR) 2001-03-06 US claimed
JP-10279467-A None JP disclosed
EP-0867445-B1 Complexes based on biologically silicon in solid form. EXSYMOL SA (MC) 2002-10-09 EP disclosed
US-6197986-B1 PHOSPHATO- OR PHOSPHONOALKYLSILANEDIOLS, TRIOLS; DRUGS, COSMETICS EXSYMOL S.A.M. (FR) 2001-03-06 US disclosed
JP-H10279467-A SOLID AND BIOLOGICALLY ACTIVE SILICON-CONTAINING COMPOUND EXSYMOL SAM 1998-10-20 JP disclosed
EP-0867445-A1 Compounds based on biologically active silicon in solid form EXSYMOL S.A.M. (MC) 1998-09-30 EP disclosed