SCHEMBL4594500

SCHEMBL4594500

CCCOc1ccc2oc(N(Cc3cc(OC(C)C)cc(OC(C)C)c3)C3CCNCC3)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.35
PPARA Q07869 18/20 0.35
PPARG P37231 13/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SSTR5 P35346 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
SCHEMBL4594418 0.92 PPARD (0.37) PPARDPPARAPPARGSLC6A2SLC6A4
SCHEMBL4593880 0.88 SLC6A2 (0.36) PPARDPPARAPPARGSLC6A2SLC6A4
SCHEMBL4594214 0.87 MAPK1 (0.36) PPARDPPARAPPARGSLC6A2SLC6A4
SCHEMBL4594555 0.87 TSHR (0.34) PPARDPPARAPPARGSLC6A2SLC6A4
SCHEMBL4593207 0.85 SSTR5 (0.36) PPARDPPARAPPARGSLC6A2SLC6A4
SCHEMBL4593394 0.83 SLC6A2 (0.36) PPARDPPARAPPARGSLC6A2SLC6A4
SCHEMBL4594412 0.83 HDAC6 (0.38) PPARDPPARAPPARGSSTR5
SCHEMBL4594697 0.82 GAA (0.41) PPARDPPARAPPARGSLC6A2SLC6A4
SCHEMBL4593462 0.81 RAB9A (0.40) SSTR5
SCHEMBL4593931 0.81 KDM4E (0.40) PPARDPPARAPPARGSLC6A2SLC6A4

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