SCHEMBL9803161

SCHEMBL9803161

CCOC(=O)C1(C(=O)OCC)C(c2ccc(F)cc2)CC(=O)N1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRM1 P35372 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HTR7 P34969 4/20 0.38
OPRK1 P41145 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CACNA1H O95180 1/20 0.37

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
SCHEMBL9802440 0.73 GAA (0.71) GAASMN1; SMN2OPRM1MAPTMEN1
SCHEMBL10502644 0.73 GAA (0.54) GAASMN1; SMN2OPRM1MEN1KMT2A
SCHEMBL28555985 0.72 OPRM1 (0.46) GAASMN1; SMN2OPRM1MAPTMEN1
SCHEMBL19838774 0.72 OPRM1 (0.43) GAASMN1; SMN2OPRM1MAPTMEN1
SCHEMBL29354473 0.71 OPRM1 (0.45) GAASMN1; SMN2OPRM1MAPTMEN1
SCHEMBL16455156 0.71 OPRM1 (0.45) GAASMN1; SMN2OPRM1MAPTMEN1
SCHEMBL9803289 0.71 OPRM1 (0.41) GAAOPRM1MAPTMEN1HTT
SCHEMBL27965829 0.69 GAA (0.47) GAASMN1; SMN2OPRM1MAPTMEN1
SCHEMBL19850659 0.69 OPRM1 (0.41) GAASMN1; SMN2OPRM1MAPTKDM4E
SCHEMBL9803238 0.69 HRH3 (0.39) MAPTLMNAPOLBHTR7CA1

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-5049577-A 2-pyrrolidone substituted dihydroxy alkanoic, alkenoic and alkynoic acids, compositions and HMG-CoA reductase inhibition therewith E. R. SQUIBB & SONS, INC. (US) 1991-09-17 US disclosed