SCHEMBL25893405

SCHEMBL25893405

C=CCc1cc(C(C)C)ccc1CCC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
XDH P47989 1/20 0.34
DHFR P00374 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
HTR1D P28221 1/20 0.32
LMNA P02545 1/20 0.32
ACHE P22303 1/20 0.32
PTGS2 P35354 1/20 0.31
CRHR1 P34998 1/20 0.31
TYR P14679 1/20 0.31
MAPK1 P28482 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 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
SCHEMBL20244408 0.80 PPARG (0.43) PPARGPPARAHTR1DLMNATYR
SCHEMBL27252485 0.78 TYR (0.39) PPARGPPARAHTR1DLMNAACHE
SCHEMBL4107540 0.77 LMNA (0.47) XDHGABRA1GABRB2LMNAACHE
SCHEMBL12802029 0.77 CNR2 (0.40) PPARGPPARAXDHDHFRGABRA1
SCHEMBL17049796 0.77 PPARG (0.39) PPARGPPARAHTR1DLMNATRPA1
SCHEMBL873331 0.77 LMNA (0.42) XDHGABRA1GABRB2LMNAACHE
SCHEMBL24751622 0.77 PPARG (0.40) PPARGPPARAHTR1DLMNAACHE
SCHEMBL9028982 0.76 XDH (0.49) PPARGXDHGABRA1GABRB2TYR
SCHEMBL9816379 0.76 GABRA1 (0.59) PPARGXDHGABRA1GABRB2LMNA
SCHEMBL21262991 0.76 ALDH1A1 (0.43) XDHGABRA1GABRB2HTR1DLMNA

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-2023141323-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-07-27 WO disclosed