SCHEMBL8554509

SCHEMBL8554509

CC(C)(C)OC(=O)N1[C@@H](C2CC2)[C@H](C(=O)O)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PREP P48147 4/20 0.35
GPR119 Q8TDV5 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
NR1H2 P55055 2/20 0.33
HCRTR2 O43614 1/20 0.32

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
SCHEMBL8551293 0.86 SPHK1 (0.34) SPHK1CHRM2CHRM1CHRM3GPR119
SCHEMBL9842234 0.81 SPHK1 (0.35) SPHK1CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL14750633 0.77 SPHK1 (0.38) SPHK1SMN1; SMN2USP2NR1H2HCRTR2
SCHEMBL8145278 0.76 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL5495814 0.76 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL8112146 0.76 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL8112149 0.76 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL9841957 0.76 SMN1; SMN2 (0.35) SPHK1SMN1; SMN2HSD17B10RECQLUSP2
SCHEMBL7286513 0.76 SMN1; SMN2 (0.35) SPHK1SMN1; SMN2HSD17B10RECQLUSP2
SCHEMBL7489317 0.73 ABCB1 (0.42) GPR119NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712854-B1 Baccatin derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1998-07-01 EP disclosed
US-5608073-A TAXANE INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 1997-03-04 US disclosed
US-5589502-A ANTITUMOR TANABE SEIYAKU CO., LTD. (JP) 1996-12-31 US disclosed
EP-0712854-A1 Baccatin derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-05-22 EP disclosed