SCHEMBL1833048

SCHEMBL1833048

CCOP(=O)(CCc1ccc(F)cc1)OCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.44
PPARD Q03181 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
AOC3 Q16853 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA2A P08913 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 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
SCHEMBL1835123 0.90 TAAR1 (0.42) TAAR1PPARD
SCHEMBL17754402 0.84 PPARD (0.44) TAAR1PPARDALDH1A1KDM4ETSHR
SCHEMBL282093 0.82 PPARD (0.47) TAAR1PPARDALDH1A1KDM4ETSHR
SCHEMBL10912425 0.82 TAAR1 (0.44) TAAR1PPARDALDH1A1KDM4ETSHR
SCHEMBL7393069 0.82 GFER (0.45) PPARDTSHRTDP1LMNA
SCHEMBL5248630 0.81 CETP (0.47) PPARDTSHRPOLB
SCHEMBL1489170 0.81 NPY5R (0.45) ALDH1A1KDM4ETSHRHPGDTDP1
SCHEMBL2955651 0.79 PPARD (0.42) PPARDALDH1A1KDM4ETSHRTDP1
SCHEMBL6898444 0.79 PPARD (0.42) PPARDTSHR
SCHEMBL978688 0.78 PPARD (0.39) PPARDALDH1A1TSHRPOLB

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-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed