SCHEMBL10512002

SCHEMBL10512002

CCC(=O)OC[C@@H]1C=C[C@H](n2ccc(N)nc2=O)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.42
LMNA P02545 3/20 0.41
THRB P10828 1/20 0.41
MTOR P42345 1/20 0.41
MDM2 Q00987 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PDE3A Q14432 3/20 0.40
CACNA1F O60840 2/20 0.40
ALB P02768 2/20 0.40
MAPT P10636 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40
NT5E P21589 1/20 0.39
PDE4D Q08499 1/20 0.39
SLC29A1 Q99808 1/20 0.39
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLA1 P09884 1/20 0.39

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
SCHEMBL10512094 0.91 NLRP3 (0.44) DUTLMNATHRBMTORMDM2
SCHEMBL10510875 0.88 NLRP3 (0.47) DUTLMNATHRBMTORMDM2
SCHEMBL10510561 0.84 HRAS (0.44) DUTLMNATHRBMTORMDM2
SCHEMBL1739891 0.80 POLG (0.48) LMNATHRBMTORMDM2NCOA1
SCHEMBL14580321 0.80 LMNA (0.55) DUTLMNATHRBMTORMDM2
SCHEMBL1980249 0.80 LMNA (0.55) DUTLMNATHRBMTORMDM2
SCHEMBL5821 0.80 LMNA (0.55) DUTLMNATHRBMTORMDM2
SCHEMBL7154210 0.80 LMNA (0.55) DUTLMNATHRBMTORMDM2
SCHEMBL31662024 0.78 LMNA (0.47) DUTLMNATHRBMTORMDM2
SCHEMBL9801816 0.77 LMNA (0.47) LMNATHRBMTORMDM2NCOA1

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
EP-0311100-A2 Derivatives of dideoxycytidine, their preparation and pharmaceutical use F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP claimed
EP-0311100-A2 Derivatives of dideoxycytidine, their preparation and pharmaceutical use F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP disclosed