SCHEMBL14033344

SCHEMBL14033344

CCOC(=O)C1CC2(CCC2)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.44
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5111017 0.86 TLR4 (0.43) TLR4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL11956606 0.83 ALDH1A1 (0.40) TLR4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL14730720 0.83 TLR4 (0.43) TLR4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL21733525 0.82 TLR4 (0.45) TLR4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL15684078 0.82 ALDH1A1 (0.45) TLR4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL857663 0.80 ALDH1A1 (0.49) TLR4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL15416184 0.79 MAPT (0.43) TLR4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL15416529 0.79 ALDH1A1 (0.45) TLR4ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL31756478 0.78 KDM4E (0.33) ALDH1A1MAPTHSD17B10KDM4EGAA
SCHEMBL14731543 0.76 TLR4 (0.39) TLR4ALDH1A1MAPTHSD17B10KDM4E

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
US-7439263-B2 Pyrrolidine and thiazolidine compounds LES LABORATOIRES SERVIER (FR) 2008-10-21 US disclosed