SCHEMBL18769166

SCHEMBL18769166

CC[C@H](OP(=O)(O)O)[C@@H](CC)OP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.45
PTPN1 P18031 1/20 0.43
LAP3 P28838 1/20 0.40
MMP1 P03956 4/20 0.39
MMP2 P08253 4/20 0.39
MMP8 P22894 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MMP3 P08254 3/20 0.38
FDPS P14324 3/20 0.35
LPAR3 Q9UBY5 3/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
METAP1 P53582 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL18769274 0.89 SMPD1 (0.47) SMPD1PTPN1LAP3MMP1MMP2
SCHEMBL1921579 0.87 SMPD1 (0.41) SMPD1PTPN1LAP3MMP1MMP2
SCHEMBL18759027 0.87 SMPD1 (0.37) SMPD1PTPN1LAP3MMP1MMP2
SCHEMBL18759030 0.87 SMPD1 (0.37) SMPD1PTPN1LAP3MMP1MMP2
SCHEMBL5963398 0.85 SMPD1 (0.39) SMPD1PTPN1LAP3MMP1MMP2
SCHEMBL9648815 0.85 PTPN1 (0.46) SMPD1PTPN1LAP3MMP1MMP2
SCHEMBL29059648 0.84 SMPD1 (0.38) SMPD1PTPN1LAP3MMP1MMP2
SCHEMBL28488486 0.84 SMPD1 (0.38) SMPD1PTPN1LAP3
SCHEMBL11026179 0.84 SMPD1 (0.38) SMPD1PTPN1LAP3
SCHEMBL6470157 0.82 PTPN1 (0.47) SMPD1PTPN1LAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017066793-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING MODERNATX, INC. (US) 2017-04-20 WO disclosed
WO-2017066781-A1 MRNA CAP ANALOGS WITH MODIFIED PHOSPHATE LINKAGE MODERNATX, INC. (US) 2017-04-20 WO disclosed