SCHEMBL5615599

SCHEMBL5615599

CC(C)OC(=O)OCOP(N)(=O)OCOC(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.39
TSHR P16473 1/20 0.34
HCAR2 Q8TDS4 1/20 0.32
IDO1 P14902 3/20 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
SCHEMBL5615689 0.89 FAP (0.37) FAPTSHRIDO1
SCHEMBL21248328 0.86 FAP (0.37) FAPTSHRIDO1
SCHEMBL17459885 0.84 FAP (0.36) FAPTSHR
SCHEMBL5615598 0.84 FAP (0.36) FAPTSHRIDO1
SCHEMBL15195773 0.84 FAP (0.36) FAPTSHRHCAR2IDO1
SCHEMBL7643791 0.84 FAP (0.36) FAPTSHRIDO1
SCHEMBL17034310 0.82 FAP (0.36) FAPTSHRIDO1
SCHEMBL15195231 0.82 FAP (0.36) FAPTSHR
SCHEMBL18309147 0.81 FAP (0.35) FAPTSHRIDO1
SCHEMBL17057614 0.81 FAP (0.40) FAPTSHRIDO1

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
WO-2007146085-A2 CREATINE PHOSPHATE PRODRUGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2007-12-21 WO claimed
WO-2007146085-A2 CREATINE PHOSPHATE PRODRUGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2007-12-21 WO disclosed