SCHEMBL9505121

SCHEMBL9505121

CCC(C(=O)O)=C(OC(=O)CC(C)=O)OC(=O)CC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.44
GAA P10253 2/20 0.44
SI P14410 2/20 0.44
MGAM2 Q2M2H8 2/20 0.44
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
FFAR3 O14843 1/20 0.31
THRB P10828 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 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
SCHEMBL5084651 0.83 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8814037 0.78 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6518962 0.75 ALDH1A1 (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6518972 0.75 ALDH1A1 (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6652850 0.75 FFAR3 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL449524 0.74 MGAM (0.67) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27303978 0.73 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28285219 0.72 MGAM (0.57) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8900506 0.72 MGAM (0.57) MGAMGAASIMGAM2ALDH1A1
SCHEMBL130960 0.71 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1

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-0258988-B1 MASTIC AND CAULKING COMPOSITIONS AND COMPOSITE ARTICLES ROHM AND HAAS COMPANY (US) 1993-06-16 EP claimed