SCHEMBL20274163

SCHEMBL20274163

CCC1CCC(OCC(=O)N2CCN(c3ccc4cc(O)ccc4c3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ME2 P23368 2/20 0.45
▸ ME1 P48163 2/20 0.45
▸ ME3 Q16798 2/20 0.45
▸ MAPT P10636 7/20 0.44
▸ GAA P10253 6/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL23336140 0.77 AKR1C3 (0.54) ME2ME1ME3MAPTGAA
SCHEMBL15724764 0.73 SIRT6 (0.42) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL15707936 0.73 SIRT6 (0.42) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL15534608 0.68 MAPT (0.56) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL12917262 0.67 ALDH1A1 (0.44) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL15850054 0.67 AKR1C3 (0.58) ME2ME1ME3MAPTLMNA
SCHEMBL12946872 0.67 GRM5 (0.55) ME2ME1ME3MAPTKDM4E
SCHEMBL15850051 0.66 ALDH1A1 (0.61) ME2ME1ME3MAPTKDM4E
SCHEMBL12917272 0.66 AKR1C3 (0.45) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL12917263 0.66 GAA (0.44) MAPTGAAKDM4ELMNAALDH1A1

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-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 — — EP disclosed
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