SCHEMBL9517565

SCHEMBL9517565

C=CC(CC(C(=O)OCC)C(=O)OCC)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 5/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 3/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 1/20 0.31
MMP8 P22894 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9517589 0.85 ALDH1A1 (0.33) L3MBTL1MAPK1TDP1MEN1KMT2A
SCHEMBL9517596 0.85 MME (0.33) MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4613459 0.75 ALDH1A1 (0.50) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL3453810 0.74 ALDH1A1 (0.40) L3MBTL1MAPK1TDP1MEN1KMT2A
SCHEMBL30411265 0.73 ALDH1A1 (0.48) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL5068207 0.72
SCHEMBL26295243 0.72 L3MBTL1 (0.36) L3MBTL1MAPK1TDP1MEN1KMT2A
SCHEMBL793641 0.70 ALDH1A1 (0.40) L3MBTL1MAPK1TDP1MEN1KMT2A
SCHEMBL5689829 0.69 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL8752092 0.69 ALDH1A1 (0.43) TDP1MEN1KMT2AALDH1A1TSHR

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-0378073-B1 PROCESS FOR THE PREPARATION OF 1,3-CYCLOPENTANDIONE LONZA AG (CH) 1993-05-19 EP claimed