SCHEMBL7220909

SCHEMBL7220909

CCOC(=O)Cn1c(C)cc(O)c(C(C)=O)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 2/20 0.48
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL2282860 0.87 KDM4E (0.47) KDM4EALDH1A1RAB9ATSHRL3MBTL1
SCHEMBL7221090 0.82 L3MBTL1 (0.48) KDM4ERAB9ATSHRL3MBTL1GAA
SCHEMBL2278855 0.81 L3MBTL1 (0.47) KDM4EALDH1A1RAB9ATSHRL3MBTL1
SCHEMBL7214195 0.76 ALDH1A1 (0.42) KDM4EALDH1A1RAB9ATSHRL3MBTL1
SCHEMBL7220252 0.75 RAB9A (0.46) KDM4EALDH1A1RAB9ATSHRL3MBTL1
SCHEMBL2284503 0.75 KMT2A (0.50) KDM4EALDH1A1RAB9ATSHRL3MBTL1
SCHEMBL2279647 0.74 L3MBTL1 (0.46) KDM4EALDH1A1RAB9ATSHRL3MBTL1
SCHEMBL7220336 0.73 POLB (0.62) KDM4EALDH1A1RAB9ATSHRL3MBTL1
SCHEMBL2279827 0.71 SMN1; SMN2 (0.59) KDM4EALDH1A1RAB9ATSHRL3MBTL1
SCHEMBL11277993 0.71 ALDH1A1 (0.52) KDM4EALDH1A1RAB9ATSHRHTT

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-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed