SCHEMBL30055481

SCHEMBL30055481

CC(C)(C)N1CCC(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.39
LIPG Q9Y5X9 4/20 0.39
DRD2 P14416 4/20 0.34
MAPK14 Q16539 5/20 0.34
HIF1A Q16665 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MAPK11 Q15759 1/20 0.32
ROCK1 Q13464 1/20 0.31
HTR7 P34969 2/20 0.31
SIGMAR1 Q99720 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
SCHEMBL1821378 0.85 LIPG (0.47) LPLLIPGHIF1AIRAK4ROCK1
SCHEMBL2558221 0.84 LPL (0.41) LPLLIPGHIF1A
SCHEMBL26113775 0.82 LIPG (0.44) LPLLIPGHIF1AIRAK4
SCHEMBL27265290 0.82 LIPG (0.44) LPLLIPGHIF1AIRAK4
SCHEMBL23484493 0.81 HIF1A (0.45) LPLLIPGHIF1AIRAK4
SCHEMBL22290411 0.81 DRD2 (0.44) LPLLIPGDRD2HTR7SIGMAR1
SCHEMBL24363869 0.80 QDPR (0.50) LPLLIPGHIF1AROCK1
SCHEMBL30470277 0.80 QDPR (0.50) LPLLIPGHIF1AROCK1
SCHEMBL14313971 0.79 USP30 (0.50)
SCHEMBL15639001 0.79 HRH3 (0.39) LPLLIPGMAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4333982-A1 PKC-THETA MODULATORS Exscientia Al Limited (GB) 2024-03-13 EP disclosed
WO-2022234298-A1 PKC-THETA MODULATORS EXSCIENTIA AI LIMITED (GB) 2022-11-10 WO disclosed