SCHEMBL16417845

SCHEMBL16417845

CCOP(=O)(O)OC[C@@H](O)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
SELP P16109 1/20 0.41
PPARD Q03181 2/20 0.41
P2RY10 O00398 4/20 0.38
GPR174 Q9BXC1 3/20 0.38
GPR34 Q9UPC5 2/20 0.38
LPAR5 Q9H1C0 2/20 0.38
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
LPAR6 P43657 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR4 Q99677 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
ENPP2 Q13822 1/20 0.35

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
SCHEMBL18541838 1.00 SMN1; SMN2 (0.44) SMN1; SMN2SELPPPARDP2RY10GPR174
SCHEMBL46668 1.00 SMN1; SMN2 (0.44) SMN1; SMN2SELPPPARDP2RY10GPR174
Ammonia Solution, Strong SCHEMBL28136552 0.98 SMN1; SMN2 (0.42) SMN1; SMN2SELPPPARDP2RY10GPR174
Diethyl Hydrogen Phosphate SCHEMBL16180713 0.90 PPARD (0.45) SMN1; SMN2SELPPPARDLPAR5LMNA
SCHEMBL29708086 0.89 SMN1; SMN2 (0.46) SMN1; SMN2SELPP2RY10GPR174GPR34
SCHEMBL30148756 0.89 SMN1; SMN2 (0.46) SMN1; SMN2SELPP2RY10GPR174GPR34
SCHEMBL579431 0.89 SMN1; SMN2 (0.46) SMN1; SMN2SELPP2RY10GPR174GPR34
SCHEMBL12284729 0.89 SMN1; SMN2 (0.46) SMN1; SMN2SELPP2RY10GPR174GPR34
SCHEMBL24111174 0.87 SMN1; SMN2 (0.44) SMN1; SMN2SELPP2RY10GPR174GPR34
SCHEMBL12281973 0.87 SMN1; SMN2 (0.44) SMN1; SMN2SELPP2RY10GPR174GPR34

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
US-8940907-B2 Synthesis of phosphoric esters MERCK PATENT GMBH (DE) 2015-01-27 US disclosed