SCHEMBL7879367

SCHEMBL7879367

CO[C@@H](CO)[C@H](O)COP(=O)(O)OP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.42
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
PGD P52209 2/20 0.36
MPI P34949 1/20 0.36
FNTA P49354 3/20 0.35
PGGT1B P53609 2/20 0.35
FNTB P49356 1/20 0.35
MVD P53602 1/20 0.33

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
SCHEMBL715384 0.86 PGD (0.48) PGDMPI
SCHEMBL27622621 0.86 PGD (0.48) PGDMPI
SCHEMBL3744513 0.80 PGD (0.41) BTN3A1LPAR1LPAR3PGDMPI
SCHEMBL5454027 0.77 LMNA (0.41) BTN3A1PGDMPI
SCHEMBL891922 0.77 PGD (0.39) BTN3A1PGDMPI
SCHEMBL3745928 0.77 PGD (0.39) BTN3A1LPAR1LPAR3PGDMPI
SCHEMBL9577589 0.77 PGD (0.39) BTN3A1LPAR1LPAR3PGDMPI
SCHEMBL20227051 0.77 BTN3A1 (0.42) BTN3A1LPAR1LPAR3FNTAPGGT1B
SCHEMBL9577691 0.75 PGD (0.37) BTN3A1PGDMPI
SCHEMBL1160489 0.75 LMNA (0.38) BTN3A1PGDMPI

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-1141379-A1 SCREENING FOR INHIBITORS OF TERPENOIDS BIOSYNTHESIS Bacher, Adelbert (DE) 2001-10-10 EP claimed
WO-2000036138-A1 SCREENING FOR INHIBITORS OF TERPENOIDS BIOSYNTHESIS BACHER ADELBERT (DE) 2000-06-22 WO claimed