SCHEMBL1573885

SCHEMBL1573885

COC(=O)CCC(=O)Oc1cc(C)c2c(OC(=O)N3CCC(C)CC3)n[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LIPE Q05469 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
ATM Q13315 1/20 0.31
TP53 P04637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 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
SCHEMBL1573883 0.90 GAA (0.41) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1573836 0.83 GAA (0.36) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1573937 0.83 LIPE (0.38) GAALIPE
SCHEMBL1573859 0.82 GAA (0.41) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1574115 0.81 GAA (0.41) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1573819 0.80 GAA (0.40) GAAALDH1A1HPGDTP53NPC1
SCHEMBL1573815 0.80 GAA (0.43) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1573763 0.79 SMN1; SMN2 (0.42) GAAALDH1A1CYP2C19NPC1RAB9A
SCHEMBL1573851 0.79 SPR (0.37)
SCHEMBL1573808 0.77 GAA (0.47) GAAALDH1A1NPSR1KDM4EHPGD

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
EP-1713779-B1 INDAZOLE DERIVATIVES AS INHIBITORS OF HORMONE-SENSITIVE LIPASES SANOFI AVENTIS DEUTSCHLAND (DE) 2011-04-13 EP disclosed