SCHEMBL8108517

SCHEMBL8108517

CCCCOC(=O)Nc1cc(C)ccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.63
ALDH1A1 P00352 3/20 0.61
HPGD P15428 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 1/20 0.61
PLK3 Q9H4B4 1/20 0.56
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP2C9 P11712 2/20 0.54
TRPM2 O94759 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL14513419 0.84 NLRP3 (0.65) ALDH1A1HPGDL3MBTL1KDM4ECYP1A2
SCHEMBL4839353 0.84 PLK1 (0.67) PLK1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL2320061 0.83 SMN1; SMN2 (0.77) PLK1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL11524084 0.81 SMN1; SMN2 (0.54) ALDH1A1HPGDL3MBTL1KDM4ECYP1A2
SCHEMBL23944960 0.81 L3MBTL1 (0.66) ALDH1A1HPGDL3MBTL1KDM4ECYP1A2
SCHEMBL5086262 0.79 SMN1; SMN2 (0.49) ALDH1A1HPGDL3MBTL1KDM4ECYP1A2
SCHEMBL9147396 0.79 PLK1 (0.50) PLK1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL5720784 0.78 SMN1; SMN2 (0.55) PLK1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL10489932 0.78 CYP1A2 (0.59) PLK1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL27685659 0.78 SMN1; SMN2 (0.59) PLK1ALDH1A1HPGDL3MBTL1KDM4E

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-1054867-A1 ANTIVIRALS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999036406-A1 ANTIVIRALS MEDIVIR AB (SE) 1999-07-22 WO disclosed