SCHEMBL8306745

SCHEMBL8306745

COc1ccc(N2C(=O)C(O[Si](C(C)C)(C(C)C)C(C)C)C2c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
HSD11B1 P28845 4/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
SOAT1 P35610 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6968887 1.00 GFER (0.47) GFERNPSR1SMN1; SMN2L3MBTL1GAA
SCHEMBL7735969 0.88 NPSR1 (0.58) GFERNPSR1SMN1; SMN2HSD11B1SOAT1
SCHEMBL7731091 0.88 NPSR1 (0.45) NPSR1SMN1; SMN2L3MBTL1HSD11B1SOAT1
SCHEMBL4177495 0.84 HSD11B1 (0.45) GFERNPSR1SMN1; SMN2HSD11B1SOAT1
SCHEMBL4177490 0.84 HSD11B1 (0.45) GFERNPSR1SMN1; SMN2HSD11B1SOAT1
SCHEMBL4177483 0.84 HSD11B1 (0.45) GFERNPSR1SMN1; SMN2HSD11B1SOAT1
SCHEMBL4192177 0.81 NPSR1 (0.39) GFERNPSR1SMN1; SMN2HSD11B1SOAT1
SCHEMBL4192176 0.81 NPSR1 (0.39) GFERNPSR1SMN1; SMN2HSD11B1SOAT1
SCHEMBL4183121 0.81 SMN1; SMN2 (0.37) GFERNPSR1SMN1; SMN2L3MBTL1HSD11B1
SCHEMBL4192183 0.81 NPSR1 (0.39) GFERNPSR1SMN1; SMN2HSD11B1SOAT1

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-0896577-A1 TAXANE DERIVATIVES HAVING A PYRIDIL SUBSTITUTED C13 SIDE CHAIN, THEIR PREPARATION AND THEIR USE AS ANTI-TUMOR AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-02-17 EP disclosed
WO-1997028156-A1 TAXANE DERIVATIVES HAVING A PYRIDYL SUBSTITUTED C13 SIDE CHAIN, THEIR PREPARATION AND THEIR USE AS ANTI-TUMOR AGENTS SCHERING AKTIENGESELLSCHAFT PATENTE (DE) 1997-08-07 WO disclosed