SCHEMBL20879577

SCHEMBL20879577

CC(C)(C)OC(=O)N1COC[C@@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.46
NR1H3 Q13133 5/20 0.46
RIPK1 Q13546 5/20 0.45
HTRA1 Q92743 1/20 0.42
RORC P51449 1/20 0.42
ABCB1 P08183 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
TACR1 P25103 3/20 0.40
HCRTR2 O43614 1/20 0.40
RXRA P19793 2/20 0.40

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
SCHEMBL14829403 0.86 NR1H2 (0.49) NR1H2NR1H3RIPK1GPR119HCRTR2
SCHEMBL14829637 0.86 NR1H2 (0.49) NR1H2NR1H3RIPK1GPR119HCRTR2
SCHEMBL13749174 0.86 NR1H2 (0.49) NR1H2NR1H3RIPK1GPR119HCRTR2
SCHEMBL3188043 0.81 NR1H2 (0.56) NR1H2NR1H3RIPK1HTRA1RORC
SCHEMBL3188035 0.81 NR1H2 (0.56) NR1H2NR1H3RIPK1HTRA1RORC
SCHEMBL12668388 0.81 NR1H2 (0.56) NR1H2NR1H3RIPK1HTRA1RORC
SCHEMBL27504373 0.78 RIPK1 (0.66) NR1H2NR1H3RIPK1RORCGPR119
SCHEMBL19471092 0.78 RIPK1 (0.64) RIPK1
SCHEMBL17881957 0.78 RIPK1 (0.64) RIPK1
SCHEMBL17881877 0.78 RIPK1 (0.64) RIPK1

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-2930173-B1 METHOD FOR PREPARING CABAZITAXEL FROM 10-DEACETYLBACCATIN III IN HIGH YIELD, AND NOVEL INTERMEDIATE THEREFOR SAMYANG BIOPHARMACEUTICALS (KR) 2019-04-10 EP disclosed