SCHEMBL10463129

SCHEMBL10463129

CCOC(=O)Cc1[c]c(CC(=O)OCC)cc(CC(=O)OCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
CYP4Z1 Q86W10 1/20 0.42
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
HSP90AB1 P08238 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
LMNA P02545 1/20 0.38
PAM P19021 1/20 0.38

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
SCHEMBL7219224 0.83 SMN1; SMN2 (0.44) SMN1; SMN2CYP4Z1GAAALDH1A1MAPT
SCHEMBL10462540 0.80 CYP4Z1 (0.41) SMN1; SMN2CYP4Z1ALDH1A1MAPTNPC1
SCHEMBL2384365 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CYP4Z1GAAALDH1A1MAPT
SCHEMBL28673281 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CYP4Z1GAAALDH1A1MAPT
SCHEMBL13492121 0.77 GAA (0.48) SMN1; SMN2CYP4Z1GAAALDH1A1MAPT
SCHEMBL9202564 0.77 HSP90AB1 (0.66) SMN1; SMN2CYP4Z1GAAALDH1A1MAPT
SCHEMBL68851 0.76 CYP4Z1 (0.62) SMN1; SMN2CYP4Z1GAAALDH1A1MAPT
SCHEMBL24541184 0.76 KDM4E (0.53) SMN1; SMN2CYP4Z1ALDH1A1MAPTNPC1
SCHEMBL6367851 0.76 MAPT (0.51) SMN1; SMN2CYP4Z1GAAMAPTRAB9A
SCHEMBL2381215 0.76 MAOB (0.44) SMN1; SMN2CYP4Z1GAAALDH1A1MAPT

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-4906662-A Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-03-06 US disclosed