SCHEMBL8733953

SCHEMBL8733953

CCOC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(F)c(C(F)(F)F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.39
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 3/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 5/20 0.33
MAPT P10636 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
DHODH Q02127 3/20 0.33
GPR35 Q9HC97 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2D6 P10635 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
SCHEMBL8733952 1.00 NPSR1 (0.39) NPSR1KDM4EPOLBLMNAMAPK1
SCHEMBL7049477 0.90 NPSR1 (0.36) NPSR1KDM4EPOLBLMNAGAA
SCHEMBL9562430 0.90 NPSR1 (0.36) NPSR1KDM4EPOLBLMNAGAA
SCHEMBL10400402 0.90 NPSR1 (0.36) NPSR1KDM4EPOLBLMNAGAA
SCHEMBL9676468 0.87 MAPT (0.36) NPSR1KDM4EPOLBLMNAGAA
SCHEMBL8775494 0.87 MAPT (0.36) NPSR1KDM4EPOLBLMNAGAA
SCHEMBL10351478 0.85 MAPT (0.34) NPSR1KDM4EPOLBLMNAMAPK1
SCHEMBL8437121 0.85 POLB (0.39) NPSR1KDM4EPOLBLMNAGAA
SCHEMBL9562451 0.85 POLB (0.39) NPSR1KDM4EPOLBLMNAGAA
SCHEMBL10351480 0.85 MAPT (0.34) NPSR1KDM4EPOLBLMNAMAPK1

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-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed