SCHEMBL5167288

SCHEMBL5167288

C[C@H](CCc1ccc(C(=O)CCCCc2ccccc2)s1)C(N)OC(=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CES1 P23141 4/20 0.39
FAAH O00519 7/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PRNP P04156 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
DPP4 P27487 1/20 0.36
ACHE P22303 1/20 0.36
SGMS1 Q86VZ5 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
PLA2G4A P47712 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
Oxalic Acid SCHEMBL5167291 0.85 POLB (0.44) POLBTDP1CES1FAAHALDH1A1
SCHEMBL5168860 0.85 POLB (0.45) POLBTDP1CES1FAAHALDH1A1
Oxalic Acid SCHEMBL5165255 0.82 TDP1 (0.41) POLBTDP1LMNA
SCHEMBL4421342 0.79 TDP1 (0.47) POLBTDP1CES1FAAHALDH1A1
SCHEMBL387696 0.77 POLB (0.40) POLBTDP1CES1FAAHALDH1A1
SCHEMBL6832421 0.76 POLB (0.41) POLBTDP1CES1FAAHALDH1A1
SCHEMBL6832393 0.75 POLB (0.43) POLBTDP1CES1FAAHALDH1A1
Fumaric Acid SCHEMBL1363596 0.74 POLB (0.43) POLBTDP1CES1FAAHALDH1A1
Maleic Acid SCHEMBL4564915 0.74 POLB (0.43) POLBTDP1CES1FAAHALDH1A1
SCHEMBL6765320 0.74 TDP1 (0.49) POLBTDP1CES1FAAHALDH1A1

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
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP disclosed