SCHEMBL23581995

SCHEMBL23581995

C=CC(=O)OC(CCCCCCCCCC)OP(=O)(O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.66
PTPN1 P18031 1/20 0.43
FDPS P14324 4/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
S1PR2 O95136 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR4 O95977 4/20 0.40
LAP3 P28838 1/20 0.39
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 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
SCHEMBL28013609 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL21541950 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL21541952 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL30409620 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL28974319 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL22471729 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL22129973 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL21496268 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL6783963 0.98 SMPD1 (0.63) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL6791410 0.94 SMPD1 (0.56) SMPD1PTPN1FDPSTSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021132707-A1 PASTE-LIKE COMPOSITION FOR DENTAL USE, AND METHOD FOR PRODUCING THE SAME クラレノリタケデンタル株式会社 2021-07-01 WO disclosed
CN-108024913-A Curable composition, curable composition for dentistry, and organic-inorganic composite particle for dentistry 德山齿科株式会社 2018-05-11 CN disclosed
CN-104507413-B Dental mill blank and method for producing same KURARAY NORITAKE DENTAL INC. (JP) 2016-04-27 CN disclosed
CN-105101935-A Curable composition KURARAY NORITAKE DENTAL INC 2015-11-25 CN disclosed
CN-104507413-A Method for manufacturing dental mill blank KURARAY NORITAKE DENTAL INC 2015-04-08 CN disclosed