SCHEMBL7587136

SCHEMBL7587136

CCCC(CC)(OP(=O)(O)O)[Si](O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.42
FDPS P14324 5/20 0.38
LPAR3 Q9UBY5 4/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
GGPS1 O95749 2/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 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
SCHEMBL2411678 0.83 SMPD1 (0.41) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL393229 0.80 SMPD1 (0.39) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL5908917 0.71 SMPD1 (0.47) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL5908847 0.71 SMPD1 (0.47) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL5908958 0.70 SMPD1 (0.50) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL1923665 0.69 SMPD1 (0.46) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL1923635 0.69 SMPD1 (0.48) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL5964459 0.69 SMPD1 (0.48) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL5014661 0.68 SMPD1 (0.44) SMPD1FDPSLPAR3LPAR1LPAR2
SCHEMBL7006858 0.68 SMPD1 (0.41) SMPD1FDPSLPAR3LPAR1LPAR2

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 4 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
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
EP-0867445-A1 Compounds based on biologically active silicon in solid form EXSYMOL S.A.M. (MC) 1998-09-30 EP disclosed