SCHEMBL21183205

SCHEMBL21183205

Cc1ccc(C(C)C)cc1SCC(C)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TRPA1 O75762 1/20 0.41
PTGS1 P23219 1/20 0.41
CACNA1C Q13936 1/20 0.41
ACHE P22303 6/20 0.35
BCHE P06276 4/20 0.33
CRHR1 P34998 1/20 0.33
HTT P42858 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PDK2 Q15119 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL18720486 0.89 LMNA (0.43) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL20220018 0.80 L3MBTL1 (0.40) LMNAALDH1A1GAAALOX12SMN1; SMN2
SCHEMBL21183169 0.75
SCHEMBL20220255 0.73
SCHEMBL21183203 0.72 ATM (0.39) HTTALDH1A1ALOX12SMN1; SMN2PDK2
SCHEMBL23902035 0.72 ALDH1A1 (0.33) LMNATRPA1PTGS1CACNA1CCRHR1
SCHEMBL12593462 0.71 LMNA (0.54) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL23050060 0.70 LMNA (0.52) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL20220110 0.69
SCHEMBL23901710 0.69 ALDH1A1 (0.33) LMNATRPA1PTGS1CACNA1CHTT

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-3152216-B1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-07-24 EP disclosed