SCHEMBL9317494

SCHEMBL9317494

CCOC(=O)CC(=O)CC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.48
PPID Q08752 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 3/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
HSD11B1 P28845 1/20 0.42
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PIN1 Q13526 1/20 0.40
TOP2A P11388 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL4619371 0.87 SMN1; SMN2 (0.54) SMN1; SMN2POLBPPIDALDH1A1MEN1
SCHEMBL18106113 0.82 ALDH1A1 (0.50) SMN1; SMN2POLBPPIDALDH1A1MEN1
SCHEMBL18095613 0.82 ALDH1A1 (0.50) SMN1; SMN2POLBPPIDALDH1A1MEN1
SCHEMBL18106124 0.82 ALDH1A1 (0.50) SMN1; SMN2POLBPPIDALDH1A1MEN1
SCHEMBL9716850 0.78 SMN1; SMN2 (0.58) SMN1; SMN2POLBPPIDALDH1A1MEN1
SCHEMBL27511978 0.77 MAPT (0.46) SMN1; SMN2POLBPPIDALDH1A1GAA
SCHEMBL28490145 0.77 CYP2C19 (0.48) SMN1; SMN2ALDH1A1KMT2ATSHR
SCHEMBL21447568 0.77 HSD11B1 (0.52) SMN1; SMN2POLBPPIDALDH1A1MEN1
SCHEMBL15688271 0.77 KIF11 (0.45) SMN1; SMN2POLBPPIDALDH1A1
SCHEMBL313012 0.76 POLB (0.55) SMN1; SMN2POLBPPIDALDH1A1MEN1

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-5278326-A Aromatic WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed