SCHEMBL11547153

SCHEMBL11547153

CC/C=C(\C)OC(=O)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32

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
SCHEMBL11547156 1.00 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27649085 0.81 ALDH1A1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27764772 0.81 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27841991 0.79 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL272493 0.79 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2320989 0.79 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11573728 0.78 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL10430791 0.77
SCHEMBL14775318 0.77 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL10430790 0.77

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-4173588-A FROM 2-METHYL-3-BUTEN-2-OL AND AN ALKYL ACETOACETATE, ORGANOALUMINUM COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1979-11-06 US disclosed