SCHEMBL10510875

SCHEMBL10510875

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
EP300 Q09472 5/20 0.43
DUT P33316 1/20 0.38
LMNA P02545 3/20 0.38
THRB P10828 1/20 0.38
MTOR P42345 1/20 0.38
MDM2 Q00987 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CYP3A4 P08684 1/20 0.36
CACNA1F O60840 2/20 0.36
ALB P02768 2/20 0.36
MAPT P10636 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36
PDE3A Q14432 2/20 0.36
POLA1 P09884 1/20 0.36

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 0.92 NLRP3 (0.44) NLRP3L3MBTL1EP300DUTLMNA
SCHEMBL10512002 0.88 DUT (0.42) L3MBTL1DUTLMNATHRBMTOR
SCHEMBL10512003 0.85 NLRP3 (0.45) NLRP3L3MBTL1DUTLMNA
SCHEMBL10511694 0.82 NLRP3 (0.42) NLRP3DUT
SCHEMBL10511697 0.82 NLRP3 (0.42) NLRP3DUT
SCHEMBL10512132 0.82 NLRP3 (0.42) NLRP3DUT
SCHEMBL6858205 0.80 L3MBTL1 (0.45) NLRP3L3MBTL1EP300LMNACACNA1F
SCHEMBL9046105 0.80 L3MBTL1 (0.65) L3MBTL1LMNATHRBMTORMDM2
SCHEMBL9048281 0.80 L3MBTL1 (0.65) L3MBTL1LMNATHRBMTORMDM2
SCHEMBL11858671 0.80 L3MBTL1 (0.65) L3MBTL1LMNATHRBMTORMDM2

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