SCHEMBL6439692

SCHEMBL6439692

COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OCCCC(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.53
FFAR1 O14842 3/20 0.52
FFAR4 Q5NUL3 2/20 0.52
PPARA Q07869 3/20 0.50
MAPT P10636 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PLA2G4B P0C869 1/20 0.46

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
SCHEMBL6438739 1.00 PDE4B (0.53) PDE4BFFAR1FFAR4PPARAMAPT
SCHEMBL6438671 0.94 PPARA (0.57) PDE4BFFAR1FFAR4PPARAMAPT
SCHEMBL6437129 0.93 PPARA (0.58) PDE4BFFAR1FFAR4PPARAMAPT
SCHEMBL6438767 0.91 HDAC1 (0.48) PDE4BFFAR1FFAR4PPARAMAPT
SCHEMBL6437472 0.90 PPARA (0.55) FFAR1FFAR4PPARAMAPTPPARG
SCHEMBL8029095 0.89 PDE4B (0.64) PDE4BFFAR1FFAR4PPARAMAPT
SCHEMBL13940016 0.88 L3MBTL1 (0.66) FFAR4PPARAPPARGHPGDL3MBTL1
SCHEMBL7086688 0.88 PPARA (0.56) FFAR1FFAR4PPARAPPARGALDH1A1
Hydrochloric Acid SCHEMBL8981950 0.87 PDE4B (0.62) PDE4BFFAR1FFAR4PPARAMAPT
SCHEMBL6436858 0.85 MEN1 (0.47) PDE4BFFAR1FFAR4PPARAPPARG

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