SCHEMBL4594609

SCHEMBL4594609

CCOc1cc(CN(c2nc3cc(OCCCC(=O)O)ccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.38
KCNH2 Q12809 1/20 0.38
PPARA Q07869 9/20 0.38
PPARD Q03181 9/20 0.38
PPARG P37231 5/20 0.38
NPC1L1 Q9UHC9 1/20 0.38
SCP2 P22307 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL4593573 0.93 SSTR5 (0.39) SSTR5KCNH2PPARAPPARDPPARG
SCHEMBL4594820 0.92 SSTR5 (0.39) SSTR5KCNH2PPARAPPARDPPARG
SCHEMBL4593823 0.91 SSTR5 (0.37) SSTR5KCNH2PPARAPPARDPPARG
SCHEMBL4593907 0.90 SSTR5 (0.37) SSTR5KCNH2PPARAPPARDPPARG
SCHEMBL4593310 0.90 REN (0.41) SSTR5KCNH2PPARAPPARDPPARG
SCHEMBL4594329 0.88 SSTR5 (0.42) SSTR5KCNH2PTGDR2
SCHEMBL4594382 0.87 SSTR5 (0.40) SSTR5KCNH2PTGDR2
SCHEMBL4594591 0.87 GAA (0.42) SSTR5KCNH2PTGDR2
SCHEMBL4593544 0.86 SSTR5 (0.46) SSTR5KCNH2PPARAPPARDPPARG
SCHEMBL4593346 0.85 PPARG (0.35) SSTR5KCNH2PPARAPPARDPPARG

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