SCHEMBL7700461

SCHEMBL7700461

CCCCCOc1ccc2c(c1)cc(C(=O)OCC)n2CCc1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 7/20 0.47
MAOA P21397 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 1/20 0.42
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41

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
SCHEMBL7246843 0.86 KDM4E (0.41) PLA2G4AMAOAKDM4ECRHBPCRHR2
SCHEMBL7247084 0.83 KDM4E (0.47) KDM4ECRHBPCRHR2SMN1; SMN2NOD2
SCHEMBL7700463 0.78 MAOA (0.40) PLA2G4AMAOASMN1; SMN2PPARG
SCHEMBL18733285 0.77 PLA2G4A (0.58) PLA2G4AMAOAKDM4ENOD2NOD1
SCHEMBL7252148 0.76 MCL1 (0.38) MAOAKDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL25505995 0.75 HSD17B10 (0.47) MAOAKDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL30041116 0.75 HSD17B10 (0.47) MAOAKDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL18733283 0.73 PLA2G4A (0.47) PLA2G4AMAOAKDM4ENOD2NOD1
SCHEMBL18733230 0.72 MAOA (0.51) PLA2G4AMAOA
SCHEMBL16894501 0.72 MAOA (0.59) PLA2G4AMAOAKDM4ESMN1; SMN2

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-2002000620-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-03 WO disclosed