SCHEMBL27285685

SCHEMBL27285685

COC(C)(C)COc1ccc(SCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.49
MAOB P27338 4/20 0.46
MAOA P21397 3/20 0.46
APP P05067 1/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
SLC6A4 P31645 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
PRMT1 Q99873 1/20 0.38
SCN9A Q15858 1/20 0.37
HDAC3 O15379 1/20 0.37
NCOR1 O75376 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SIRT2 Q8IXJ6 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
SCHEMBL27038404 0.80 LMNA (0.55) MAOBMAOAMEN1KMT2ACYP1A2
SCHEMBL10441183 0.77 LTA4H (0.68) LTA4HMAOBMAOAAPPPPARG
SCHEMBL2433694 0.77 APP (0.69) LTA4HMAOBMAOAAPPPPARG
SCHEMBL339178 0.76 LMNA (0.58) LTA4HMAOBMAOAPPARGPPARA
SCHEMBL31518318 0.71 APP (0.55) LTA4HMAOBMAOAAPPPPARG
SCHEMBL27684871 0.71 EGFR (0.54) MAOBMAOAPPARGPPARASLC6A4
SCHEMBL2272164 0.71 APP (0.69) LTA4HMAOBMAOAAPPPPARG
SCHEMBL13467558 0.70 ACHE (0.44) PPARAMEN1KMT2A
SCHEMBL27621275 0.70 LMNA (0.69) LTA4HMAOBMAOAAPPPPARG
SCHEMBL257994 0.70 SLC6A4 (0.42) LTA4HMAOBMAOAAPPPPARG

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-2024129634-A1 RBM39 SULFONAMIDE INHIBITORS RECURSION PHARMACEUTICALS, INC. (US) 2024-06-20 WO disclosed