SCHEMBL23167662

SCHEMBL23167662

CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.CC(C)(C)OC(=O)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MAPT P10636 1/20 0.52
▸ MDH1 P40925 1/20 0.51
▸ MDH2 P40926 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.50
▸ FAAH O00519 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ PPARD Q03181 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ VEGFA P15692 1/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.48
▸ PRKAB2 O43741 3/20 0.47
▸ PRKAG1 P54619 3/20 0.47
▸ PRKAA2 P54646 3/20 0.47
▸ PRKAA1 Q13131 3/20 0.47
▸ PRKAG3 Q9UGI9 3/20 0.47
▸ PRKAG2 Q9UGJ0 3/20 0.47
▸ PRKAB1 Q9Y478 3/20 0.47
▸ GPR119 Q8TDV5 1/20 0.47

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
SCHEMBL5546576 0.93 L3MBTL1 (0.62) L3MBTL1MAPTMDH1MDH2SIGMAR1
SCHEMBL23632422 0.88 MAPT (0.63) L3MBTL1MAPTMDH1MDH2SIGMAR1
SCHEMBL18083722 0.83 HIF1A (0.69) MAPTSIGMAR1FAAHKDM4EALDH1A1
SCHEMBL1512471 0.82 RORC (0.67) L3MBTL1MAPTVEGFAEGLN1PLA2G7
SCHEMBL22800906 0.82 VEGFA (0.54) L3MBTL1MAPTVEGFAEGLN1PLA2G7
SCHEMBL27502582 0.81 HRH3 (0.62) L3MBTL1MAPTGPR119MEN1KMT2A
SCHEMBL23257401 0.81 VEGFA (0.53) L3MBTL1MAPTALDH1A1PPARDPPARA
SCHEMBL2902092 0.80 KDM1A (0.55) VEGFAEGLN1
SCHEMBL12514771 0.80 VEGFA (0.45) MAPTKDM4EVEGFAEGLN1GPR119
SCHEMBL23257678 0.80 VEGFA (0.52) L3MBTL1MAPTVEGFAEGLN1GPR119

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-2021067805-A1 OXALAMIDE HETEROBYCYCLIC COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 — — WO disclosed
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