SCHEMBL27675694

SCHEMBL27675694

COCCOCC1CCCN(OC(=O)C(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENO1 P06733 1/20 0.32
CDK8 P49336 2/20 0.32
FKBP1A P62942 3/20 0.32
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
SCN9A Q15858 1/20 0.30
ALOX5 P09917 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
SCHEMBL27675702 0.91 CDK8 (0.39) CDK8FKBP1APOLBALDH1A1SPHK1
SCHEMBL27655729 0.88 ALDH1A1 (0.34) ENO1CDK8FKBP1APOLBALDH1A1
SCHEMBL27757343 0.86 ALDH1A1 (0.34) ENO1CDK8FKBP1APOLBALDH1A1
SCHEMBL27655719 0.86 ALDH1A1 (0.34) ENO1CDK8FKBP1APOLBALDH1A1
SCHEMBL27655761 0.85 FKBP1A (0.39) FKBP1AALDH1A1
SCHEMBL27445707 0.83 ALDH1A1 (0.34) CDK8FKBP1AALDH1A1
SCHEMBL28294099 0.80 ALDH1A1 (0.35) ENO1FKBP1AALDH1A1
SCHEMBL28759832 0.80 L3MBTL1 (0.41) FKBP1A
SCHEMBL27377906 0.79 ENO1 (0.33) ENO1FKBP1AALDH1A1
SCHEMBL27842168 0.79 ENO1 (0.33) ENO1FKBP1AALDH1A1

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
CN-1968954-A Thienopyridine Derivatives SANKYO CO (JP) 2007-05-23 CN disclosed