SCHEMBL28752198

SCHEMBL28752198

CCOP(=O)(CC(=O)Cc1ccc(F)c(CN)c1)OCC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
POLB P06746 1/20 0.32
BACE1 P56817 1/20 0.32
KLKB1 P03952 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL4990849 0.83 MMP13 (0.40) POLBMAPTMAPK1ALDH1A1
SCHEMBL27601154 0.77 MAPK1 (0.36) PARP1POLBBACE1MAPTMAPK1
SCHEMBL4990294 0.75 POLB (0.43) POLBMAPTMAPK1ALDH1A1GAA
SCHEMBL6915874 0.72 MAPK1 (0.48) POLBMAPTMAPK1ALDH1A1GAA
SCHEMBL27809841 0.72 KDM4E (0.47) PARP1POLBMAPTALDH1A1GAA
SCHEMBL27407292 0.71 CYP4F2 (0.54) BACE1ALDH1A1GAACYP4F2CYP4A11
SCHEMBL28766987 0.70 DPP4 (0.42) MAPTMAOBCYP4F2CYP4A11
SCHEMBL27583675 0.70 PARP1 (0.40) PARP1BACE1MAOAMAOBCYP4F2
SCHEMBL4992838 0.70 SLC7A5 (0.36) MAPTMAPK1MAOBALDH1A1
SCHEMBL4992898 0.69 MAPT (0.38) MAPTMAPK1CYP4F2CYP4A11

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-1476429-A EP4 receptor selective agonists in treatment of osteoporosis �Ʒ� 2004-02-18 CN disclosed