SCHEMBL25045006

SCHEMBL25045006

CCN1CCC(C)C(C)(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
EPHX1 P07099 3/20 0.33
EPHX2 P34913 2/20 0.33
HSD11B1 P28845 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ATM Q13315 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
SCHEMBL24791130 0.80 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EGAAEPHX1EPHX2
SCHEMBL26893467 0.80 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EGAAEPHX1EPHX2
SCHEMBL7858206 0.73 KDM4E (0.40) SMN1; SMN2KDM4EGAAHSD11B1OPRM1
SCHEMBL29346750 0.72 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EGAAEPHX1EPHX2
SCHEMBL12464452 0.71 KMT2A (0.44) SMN1; SMN2KDM4EEPHX1EPHX2HSD11B1
SCHEMBL27373741 0.70 NAMPT (0.43) SMN1; SMN2KDM4EGAAEPHX1EPHX2
SCHEMBL21791310 0.70 NAMPT (0.43) SMN1; SMN2KDM4EGAAEPHX1EPHX2
SCHEMBL19734249 0.69 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL25125334 0.68 KDM4E (0.38) SMN1; SMN2KDM4EGAAEPHX1EPHX2
SCHEMBL24734696 0.68 SMN1; SMN2 (0.37) SMN1; SMN2EPHX1EPHX2HSD11B1

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-2023018648-A1 PHENOL DERIVATIVES FOR USE IN THE MODULATION OF BRM GENENTECH, INC. (US) 2023-02-16 WO disclosed