SCHEMBL7212921

SCHEMBL7212921

CON(OC)[C@](CC(=O)O)(C(=O)OP(N)(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
KCNN4 O15554 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
LAP3 P28838 1/20 0.33
POLB P06746 2/20 0.32
PTPN1 P18031 2/20 0.31
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CES1 P23141 1/20 0.31
CA2 P00918 1/20 0.31
KMT2A Q03164 2/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL7208533 1.00 CYP2C19 (0.39) CYP2C19HIF1AKCNN4SMN1; SMN2NR1H2
SCHEMBL7772741 0.72 TSHR (0.36) CYP2C19HIF1APTPN1KMT2A
SCHEMBL7207839 0.64 KCNN4 (0.38) CYP2C19HIF1AKCNN4SMN1; SMN2POLB
SCHEMBL10982127 0.62 KCNN4 (0.58) CYP2C19HIF1AKCNN4NR1H2NR1H3
SCHEMBL4012323 0.62 KCNN4 (0.58) CYP2C19HIF1AKCNN4NR1H2NR1H3
SCHEMBL6387363 0.62 CYP2C19 (0.53) CYP2C19HIF1AKCNN4SMN1; SMN2POLB
SCHEMBL7212918 0.61 ALDH1A1 (0.35) CYP2C19SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL1081533 0.61 HIF1A (0.57) CYP2C19HIF1AKCNN4SMN1; SMN2KMT2A
SCHEMBL1051513 0.61 CYP2C19 (0.57) CYP2C19HIF1AKCNN4SMN1; SMN2POLB
SCHEMBL3363877 0.61 CYP2C19 (0.57) CYP2C19HIF1AKCNN4SMN1; SMN2POLB

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
EP-1150988-B1 PHOSPHORAMIDATE, AND MONO-, DI-, AND TRI-PHOSPHATE ESTERS OF (1R, CIS)-4-(6-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL AGENTS GLAXO GROUP LTD (GB) 2003-05-28 EP claimed