SCHEMBL4593310

SCHEMBL4593310

CCOc1cc(CN(c2nc3cc(OCCCC(=O)O)ccc3o2)C2CCNCC2)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
SSTR5 P35346 9/20 0.39
HDAC6 Q9UBN7 1/20 0.38
NPC1L1 Q9UHC9 1/20 0.38
HRH1 P35367 3/20 0.37
SSTR1 P30872 1/20 0.37
PPARD Q03181 5/20 0.37
PPARA Q07869 5/20 0.37
PPARG P37231 2/20 0.37
KCNH2 Q12809 2/20 0.37

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
SCHEMBL4593246 0.94 SSTR5 (0.41) RENSSTR5HDAC6HRH1SSTR1
SCHEMBL4594763 0.92 SSTR5 (0.41) RENSSTR5HDAC6HRH1SSTR1
SCHEMBL4594609 0.90 SSTR5 (0.38) SSTR5NPC1L1PPARDPPARAPPARG
SCHEMBL4594185 0.88 SSTR5 (0.42) RENSSTR5HDAC6HRH1SSTR1
SCHEMBL4593591 0.86 REN (0.43) RENSSTR5HDAC6HRH1PPARA
SCHEMBL4593573 0.85 SSTR5 (0.39) SSTR5PPARDPPARAPPARGKCNH2
SCHEMBL5485903 0.85 HDAC6 (0.46) RENSSTR5HDAC6HRH1SSTR1
SCHEMBL5484863 0.83 SSTR5 (0.57) RENSSTR5HDAC6HRH1SSTR1
SCHEMBL4594636 0.82 MAPT (0.46) RENSSTR5HDAC6SSTR1KCNH2
SCHEMBL4594820 0.81 SSTR5 (0.39) SSTR5PPARDPPARAPPARGKCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed