SCHEMBL8551293

SCHEMBL8551293

C[C@@H]1C[C@H]1[C@H]1[C@H](C(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.34
NR1H2 P55055 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCRTR2 O43614 1/20 0.31
EPHX2 P34913 1/20 0.31
BRD4 O60885 1/20 0.31
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL8554509 0.86 SPHK1 (0.36) SPHK1NR1H2CHRM2CHRM1CHRM3
SCHEMBL9842234 0.81 SPHK1 (0.35) SPHK1CHRM2CHRM1CHRM3USP2
SCHEMBL8832441 0.79 LMNA (0.36) SMN1; SMN2
SCHEMBL14750633 0.75 SPHK1 (0.38) SPHK1NR1H2USP2SMN1; SMN2HCRTR2
SCHEMBL5495814 0.74 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL8112149 0.74 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL8145278 0.74 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL8112146 0.74 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL17356198 0.73 SPHK1 (0.35) SPHK1CHRM2CHRM1CHRM3USP2
SCHEMBL15936851 0.73 SPHK1 (0.35) SPHK1CHRM2CHRM1CHRM3USP2

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 5 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
US-5538995-A Difluoroprostacyclins ASAHI GLASS COMPANY LTD. (JP) 1996-07-23 US disclosed
EP-0712854-A1 Baccatin derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-05-22 EP disclosed