SCHEMBL6958983

SCHEMBL6958983

[CH2]OC(=O)NC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
SOAT1 P35610 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7713280 0.87 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6468449 0.80 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6958990 0.80 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4337600 0.78
SCHEMBL944132 0.77 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL697911 0.77
SCHEMBL9659162 0.76
SCHEMBL6971870 0.76 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4728651 0.76 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6993745 0.76 MAPT (0.43) GAAMGAMSIMGAM2ALDH1A1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed