SCHEMBL8308908

SCHEMBL8308908

CC(C)(C)C1OC(=O)C(c2ccccc2)([C@H]2CCC(=O)C2)O1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 4/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5792460 1.00 MAPK1 (0.33) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1
SCHEMBL8309292 1.00 MAPK1 (0.33) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1
SCHEMBL4524592 1.00 MAPK1 (0.33) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1
SCHEMBL4516595 1.00 MAPK1 (0.33) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1
SCHEMBL2793010 0.93 L3MBTL1 (0.36) MAPK1SMN1; SMN2CHRM2CHRM4L3MBTL1
SCHEMBL2797900 0.93 L3MBTL1 (0.36) MAPK1SMN1; SMN2CHRM2CHRM4L3MBTL1
SCHEMBL2792896 0.93 L3MBTL1 (0.36) MAPK1SMN1; SMN2CHRM2CHRM4L3MBTL1
SCHEMBL7478239 0.92 MEN1 (0.34) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1
SCHEMBL7471671 0.90 MAPK1 (0.33) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1
SCHEMBL8308654 0.90 MAPK1 (0.33) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1

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-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP disclosed