SCHEMBL5501345

SCHEMBL5501345

CCOC(=O)Cc1[nH]c2ccc(O)c(-c3ccc(OC(F)(F)F)cc3)c2c1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MAPT P10636 5/20 0.38
GAA P10253 4/20 0.38
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALOX5 P09917 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
BCL2L1 Q07817 1/20 0.36
AR P10275 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL5266671 0.86 POLB (0.41) POLBMAPTGAAALDH1A1KDM4E
SCHEMBL5506452 0.85 ALDH1A1 (0.48) POLBMAPTGAAALDH1A1KDM4E
SCHEMBL5510893 0.84 PPARD (0.39) POLBMAPTGAAALDH1A1KDM4E
SCHEMBL5504449 0.84 ALOX5 (0.39) POLBMAPTALOX5MEN1KMT2A
SCHEMBL5519196 0.84 CSF1R (0.38) POLBMAPTALDH1A1HPGDALOX5
SCHEMBL5505103 0.83 LMNA (0.39) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL5510025 0.82 LGALS8 (0.38) POLBMAPTALOX5MEN1KMT2A
SCHEMBL5503551 0.80 LMNA (0.39) MAPTKDM4EHPGDLMNAL3MBTL1
SCHEMBL5512279 0.79 TLR9 (0.38) MAPTGAAALDH1A1ALOX5AR
SCHEMBL5507785 0.78 ALOX5 (0.42) MAPTGAAALDH1A1KDM4EHPGD

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-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed