SCHEMBL8112149

SCHEMBL8112149

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.35
HCRTR2 O43614 1/20 0.32
ATM Q13315 1/20 0.30
CAPN9 O14815 1/20 0.30
CAPN1 P07384 1/20 0.30
CTSB P07858 1/20 0.30
MAPK1 P28482 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
SCHEMBL5495814 1.00 SPHK1 (0.35) SPHK1HCRTR2ATMCAPN9CAPN1
SCHEMBL8145278 1.00 SPHK1 (0.35) SPHK1HCRTR2ATMCAPN9CAPN1
SCHEMBL8112146 1.00 SPHK1 (0.35) SPHK1HCRTR2ATMCAPN9CAPN1
SCHEMBL14750633 0.87 SPHK1 (0.38) SPHK1HCRTR2
SCHEMBL5496374 0.86 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL5849654 0.84 SPHK1 (0.31) SPHK1
SCHEMBL7321665 0.82 SPHK1 (0.32) SPHK1
SCHEMBL7284303 0.82 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL8919455 0.82 SPHK1 (0.44) SPHK1
SCHEMBL7288124 0.81 SPHK1 (0.34) SPHK1HCRTR2ATM

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-0862563-B1 10-DEACETYL-14BETA-HYDROXYBACCATINE III DERIVATIVES, A PROCESS FOR THE PREPARATION THEREOF AND FORMULATIONS CONTAINING THEM INDENA SPA (IT) 2000-08-09 EP disclosed