SCHEMBL8720525

SCHEMBL8720525

CC(C)CCN1C2COCC1CC(=O)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SORT1 Q99523 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DAO P14920 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIK3CD O00329 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
SCHEMBL8713712 0.82 PIK3CD (0.39) MAPK1MEN1KMT2APIK3CD
SCHEMBL8719165 0.80 MAPK1 (0.39) MAPK1MEN1KMT2AALDH1A1
SCHEMBL4546629 0.80 PIK3CD (0.31) PIK3CD
SCHEMBL8717612 0.79
SCHEMBL8714495 0.77 MAPK1 (0.37) MAPK1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8718977 0.77
SCHEMBL8718975 0.77
SCHEMBL13715018 0.77 MAPK1 (0.58) MAPK1MEN1KMT2A
SCHEMBL5433093 0.77 MAPK1 (0.58) MAPK1MEN1KMT2A
SCHEMBL8714694 0.76 ALDH1A1 (0.37) MAPK1MEN1KMT2AALDH1A1

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
EP-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 EP disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 EP disclosed