SCHEMBL9300336

SCHEMBL9300336

CC(C)C1CC(=O)OC(C(C)C)CC(=O)OC(C(C)C)CC(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
TNKS O95271 4/20 0.34
TNKS2 Q9H2K2 4/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
AKT1 P31749 1/20 0.30

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
SCHEMBL5691663 0.97
SCHEMBL1363669 0.97
SCHEMBL12202936 0.80 SMN1; SMN2 (0.44) SMN1; SMN2THRBALOX15TNKSTNKS2
SCHEMBL12650414 0.80 SMN1; SMN2 (0.44) SMN1; SMN2THRBALOX15TNKSTNKS2
SCHEMBL12603715 0.80 SMN1; SMN2 (0.39) SMN1; SMN2THRBALOX15TNKSTNKS2
SCHEMBL918777 0.78 SMN1; SMN2 (0.43) SMN1; SMN2THRBALOX15CA1CA9
SCHEMBL14079300 0.78 SMN1; SMN2 (0.38) SMN1; SMN2THRBALOX15
SCHEMBL22767233 0.78 SMN1; SMN2 (0.38) SMN1; SMN2THRBALOX15
SCHEMBL14131263 0.75
SCHEMBL14131228 0.75

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286842-A Process for producing a biodegradable polymer MITSUBISHI KASEI CORPORATION (JP) 1994-02-15 US disclosed
EP-0522422-A2 Process for producing a biodegradable polymer Mitsubishi Chemical Corporation (JP) 1993-01-13 EP disclosed