SCHEMBL6469982

SCHEMBL6469982

Cc1csc(C(O)(c2ccc(OCCCC(=O)O)cc2)c2cc(C)cs2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
FFAR4 Q5NUL3 12/20 0.45
FFAR1 O14842 7/20 0.43
TSHR P16473 1/20 0.43
PPARG P37231 1/20 0.41
ESR1 P03372 1/20 0.39
PLA2G4B P0C869 1/20 0.39
PPARA Q07869 1/20 0.39
CYP2C9 P11712 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL13940016 0.82 L3MBTL1 (0.66) L3MBTL1FFAR4TSHRPPARGPLA2G4B
SCHEMBL6437750 0.80 FFAR1 (0.45) FFAR1ESR1
SCHEMBL6439692 0.76 PDE4B (0.53) L3MBTL1FFAR4FFAR1PPARGPLA2G4B
SCHEMBL6438739 0.76 PDE4B (0.53) L3MBTL1FFAR4FFAR1PPARGPLA2G4B
SCHEMBL13939426 0.76 PPARA (0.45) FFAR4FFAR1ESR1PPARA
SCHEMBL7086688 0.76 PPARA (0.56) FFAR4FFAR1PPARGESR1PPARA
SCHEMBL13940075 0.75 PLA2G4B (0.46) L3MBTL1FFAR4FFAR1ESR1PLA2G4B
SCHEMBL6436858 0.74 MEN1 (0.47) L3MBTL1FFAR4FFAR1PPARGESR1
SCHEMBL6883728 0.73 L3MBTL1 (0.82) L3MBTL1FFAR4FFAR1TSHRPPARG
SCHEMBL7082484 0.73 HPGD (0.49) L3MBTL1FFAR4FFAR1PPARACYP2C9

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