SCHEMBL5597295

SCHEMBL5597295

CN1CCC(O)C(C)(C)C1(C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL14812009 0.76 MAPK1 (0.33) MAPK1NPSR1TP53NFKB1CYP2C19
SCHEMBL14812010 0.76 MAPK1 (0.33) MAPK1NPSR1TP53NFKB1CYP2C19
SCHEMBL1116291 0.73
SCHEMBL7212258 0.72 ALDH1A1 (0.30) ALDH1A1
SCHEMBL24070911 0.68
SCHEMBL28875806 0.68
SCHEMBL9348133 0.66
SCHEMBL29211950 0.66 SMN1; SMN2 (0.31) SMN1; SMN2ALDH1A1
SCHEMBL27415709 0.65 FFAR3 (0.37) NFKB1CYP2C19
SCHEMBL3645641 0.64 MAPK1 (0.33) MAPK1NPSR1TP53NFKB1CYP2C19

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-1789471-A1 SULFONATED COPOLYETHERESTER COMPOSITIONS FROM HYDROXYALKANOIC ACIDS AND SHAPED ARTICLES PRODUCED THEREFROM E.I.Du pont de nemours and company (US) 2007-05-30 EP disclosed
WO-2006010062-A1 SULFONATED COPOLYETHERESTER COMPOSITIONS FROM HYDROXYALKANOIC ACIDS AND SHAPED ARTICLES PRODUCED THEREFROM E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-01-26 WO disclosed