SCHEMBL27905697

SCHEMBL27905697

FC(F)(F)c1ccc(OCC2(COc3[c]cccc3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.39
▸ DRD2 P14416 5/20 0.38
▸ MAOB P27338 4/20 0.35
▸ LTA4H P09960 2/20 0.34
▸ DRD1 P21728 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ AOC3 Q16853 1/20 0.33

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
SCHEMBL27905687 0.86 L3MBTL1 (0.41) DRD2MAOBGRM2ALDH1A1AOC3
SCHEMBL27923629 0.85 CYP1A2 (0.35) DRD2MAOBDRD1DRD3ALDH1A1
SCHEMBL27923627 0.84 KCNA3 (0.34) LTA4HGRM2ALDH1A1
SCHEMBL27905695 0.76 SLC6A2 (0.35) MAOBALDH1A1
SCHEMBL27905680 0.76 NPC1 (0.36) MAOBGRM2
SCHEMBL12083017 0.74 PPARD (0.47) PPARDDRD2MAOBLTA4HALDH1A1
SCHEMBL27905684 0.74 L3MBTL1 (0.36) ALDH1A1
SCHEMBL27923626 0.74 LMNA (0.40) DRD2
SCHEMBL5543276 0.74 ALDH1A1 (0.40) LTA4HALDH1A1
SCHEMBL2350595 0.70 PPARD (0.45) PPARDDRD2MAOBALDH1A1

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
CN-103097333-A Spirocyclically substituted 1,3-propane dioxide derivatives, methods for the production thereof and use of the same as medicament SANOFI SA 2013-05-08 — — CN disclosed
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