SCHEMBL4594555

SCHEMBL4594555

CC(C)Oc1cc(CN(c2nc3cc(OCC(O)CO)ccc3o2)C2CCNCC2)cc(OC(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAP4K4 O95819 1/20 0.33
PRKCD Q05655 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
PPARD Q03181 8/20 0.33
PPARA Q07869 8/20 0.33
PPARG P37231 6/20 0.33
HTR2A P28223 3/20 0.33
SSTR5 P35346 1/20 0.33
FGFR1 P11362 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
MBTPS1 Q14703 1/20 0.32

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 0.89 PPARD (0.37) SLC6A2SLC6A4SLC6A3PPARDPPARA
SCHEMBL4594500 0.87 PPARD (0.35) SLC6A2SLC6A4SLC6A3PPARDPPARA
SCHEMBL4594214 0.85 MAPK1 (0.36) MAPK1SLC6A2SLC6A4SLC6A3PPARD
SCHEMBL4593880 0.85 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3PPARDPPARA
SCHEMBL4593394 0.84 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3PPARDPPARA
SCHEMBL4593207 0.83 SSTR5 (0.36) SLC6A2SLC6A4SLC6A3PPARDPPARA
SCHEMBL4594412 0.82 HDAC6 (0.38) PPARDPPARAPPARGHTR2ASSTR5
SCHEMBL4594566 0.81 HTR2A (0.35) PPARDPPARAPPARGHTR2ASSTR5
SCHEMBL4594697 0.81 GAA (0.41) SLC6A2SLC6A4SLC6A3PPARDPPARA
SCHEMBL4593462 0.80 RAB9A (0.40) HTR2ASSTR5MBTPS1

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