SCHEMBL6469980

SCHEMBL6469980

CSc1ccc(C(O)(c2ccc(OCCCC(=O)O)cc2)c2ccc(SC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
PPARA Q07869 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR4 Q5NUL3 7/20 0.43
PLA2G4B P0C869 2/20 0.43
FFAR1 O14842 4/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 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
SCHEMBL25364053 0.90 L3MBTL1 (0.54) L3MBTL1PPARAGAASMN1; SMN2FFAR4
SCHEMBL5727338 0.85 PPARA (0.58) L3MBTL1PPARAGAAFFAR4PLA2G4B
SCHEMBL6439692 0.84 PDE4B (0.53) L3MBTL1PPARAGAAFFAR4PLA2G4B
SCHEMBL13940016 0.84 L3MBTL1 (0.66) L3MBTL1PPARAFFAR4PLA2G4B
SCHEMBL6438739 0.84 PDE4B (0.53) L3MBTL1PPARAGAAFFAR4PLA2G4B
SCHEMBL7086688 0.84 PPARA (0.56) ESR1PPARAFFAR4FFAR1
SCHEMBL5726718 0.84 PPARA (0.56) L3MBTL1PPARAGAAPLA2G4BFFAR1
SCHEMBL10637841 0.82 L3MBTL1 (0.66) L3MBTL1PPARAGAASMN1; SMN2FFAR4
SCHEMBL7082484 0.81 HPGD (0.49) L3MBTL1PPARAFFAR4FFAR1LMNA
SCHEMBL13939433 0.81 SLC2A1 (0.53) ESR1L3MBTL1PPARAFFAR4PLA2G4B

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
EP-1506959-A2 Derivatised molecules for mass spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2005-02-16 EP disclosed