SCHEMBL6528531

SCHEMBL6528531

CCOC(=O)CCc1cccc(C#CCN2CCc3ccccc32)c1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.46
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALDH1A1 P00352 6/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 4/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL6528363 0.85 MAPT (0.38) NOTUMCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL6506652 0.80 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1GAAMEN1
SCHEMBL6528870 0.79 NOTUM (0.39) NOTUMCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL6529673 0.79 ALDH1A1 (0.49) CYP4F2CYP4A11ALDH1A1GAAMEN1
SCHEMBL6510219 0.78 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1GAAMEN1
SCHEMBL6508554 0.73 ALDH1A1 (0.43) CYP4F2CYP4A11ALDH1A1GAAMEN1
SCHEMBL22248030 0.72 NOTUM (0.66) NOTUMALDH1A1MEN1KMT2AMAPT
SCHEMBL5660336 0.69 NOTUM (0.61) NOTUMALDH1A1GAAMEN1KMT2A
SCHEMBL5940440 0.69 NOTUM (0.62) NOTUMCYP4F2CYP4A11ALDH1A1MEN1
SCHEMBL6718325 0.68 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1GAAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO claimed
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO disclosed