SCHEMBL9517596

SCHEMBL9517596

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TSHR P16473 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
SCHEMBL9517565 0.85 L3MBTL1 (0.35) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL9065166 0.76 MEN1 (0.33) MMEMEN1KMT2ASMN1; SMN2TAS1R3
SCHEMBL5068207 0.75
SCHEMBL11652425 0.75 SMN1; SMN2 (0.46) MMEKMT2ASMN1; SMN2TSHR
SCHEMBL616487 0.72
SCHEMBL3687345 0.72 SMN1; SMN2 (0.39) MMEKMT2ASMN1; SMN2TSHR
SCHEMBL11300631 0.71 TSHR (0.39) MEN1KMT2ATSHR
SCHEMBL452544 0.70 ALDH1A1 (0.41) MMEMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7164222 0.69 TDP1 (0.42) SMN1; SMN2TSHR
SCHEMBL9517589 0.69 ALDH1A1 (0.33) MEN1KMT2ASMN1; SMN2

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