SCHEMBL12849869

SCHEMBL12849869

CCOC(=O)C(C)NC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.50
GABRA5 P31644 1/20 0.49
PRSS1 P07477 1/20 0.49
CTSG P08311 1/20 0.49
CTRB1 P17538 1/20 0.49
CMA1 P23946 1/20 0.49
METAP2 P50579 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL10143994 1.00 RAB9A (0.54) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL12156864 0.87 KMT2A (0.53) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL18362239 0.86 SMN1; SMN2 (0.57) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL5784044 0.85 SMN1; SMN2 (0.55) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL820885 0.84 SMN1; SMN2 (0.49) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL9943346 0.84 GAA (0.58) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL1686722 0.84 GAA (0.58) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL9465072 0.84 POLB (0.57) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL13612866 0.84 LMNA (0.57) ALDH1A1MEN1KMT2ATDP1
SCHEMBL9464650 0.84 HTT (0.59) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102060801-B Method for synthesizing 5-alkoxy-substituted oxazole compound UNIV ZHEJIANG TECHNOLOGY 2013-04-17 CN disclosed
CN-102060801-A Method for synthesizing 5-alkoxy-substituted oxazole compound UNIV ZHEJIANG TECHNOLOGY 2011-05-18 CN disclosed
WO-2011029802-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed