SCHEMBL8550117

SCHEMBL8550117

COc1cccc(C(C)(O)C2CCOC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.38
NPY2R P49146 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ROCK2 O75116 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
CYP19A1 P11511 1/20 0.36
HPGD P15428 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL17914392 0.82 HDAC4 (0.31)
SCHEMBL314331 0.80 LMNA (0.38) L3MBTL1MEN1KMT2A
SCHEMBL17914413 0.75 HTT (0.30)
SCHEMBL10784340 0.72 LMNA (0.40) L3MBTL1MEN1ALDH1A1KMT2AHPGD
SCHEMBL2376977 0.71 CES2 (0.53) L3MBTL1ALDH1A1CTNNB1WNT3AHPGD
SCHEMBL28722327 0.71 DDB1 (0.55) ALDH1A1CYP19A1
SCHEMBL2636367 0.70 ACHE (0.50) ALDH1A1MAPTCES2CES1
SCHEMBL2534644 0.69 ACHE (0.48) ALDH1A1MAPTCES2CES1
SCHEMBL8367527 0.69 ACHE (0.48) ALDH1A1MAPTCES2CES1
SCHEMBL6897457 0.69 ACHE (0.48) ALDH1A1MAPTCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842161-A1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-20 EP disclosed