SCHEMBL8298741

SCHEMBL8298741

CC(C)(CC(C)(C)C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.41
RIPK1 Q13546 2/20 0.41
NR3C1 P04150 1/20 0.39
MAPT P10636 1/20 0.38
ATM Q13315 2/20 0.38
CYP2D6 P10635 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRC P12931 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL8634300 0.74 RIPK1 (0.44) RIPK1NR3C1KDM4ELMNA
SCHEMBL6752757 0.74 CYP2D6 (0.44) NR3C1MAPTATMCYP2D6L3MBTL1
SCHEMBL2896278 0.74 NR3C1 (0.47) NR3C1ATMCYP2D6L3MBTL1SRC
SCHEMBL704479 0.74 L3MBTL1 (0.38) PPARARIPK1NR3C1MAPTATM
SCHEMBL29008441 0.72 CYP2D6 (0.43) NR3C1MAPTATMCYP2D6L3MBTL1
SCHEMBL585429 0.72 TRPA1 (0.48) RIPK1
SCHEMBL15006719 0.72 RIPK1 (0.52) RIPK1L3MBTL1KDM4ELMNAMAPK1
SCHEMBL9493203 0.71 LMNA (0.43) RIPK1LMNA
SCHEMBL16853358 0.71 CYP2C19 (0.48) PPARAMAPTCYP2D6
SCHEMBL707571 0.70 RIPK1 (0.35) RIPK1NR3C1ATML3MBTL1LMNA

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
WO-2004105750-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2004-12-09 WO disclosed