SCHEMBL8529463

SCHEMBL8529463

O=C(O)C(CC(C(=O)O)(c1ccsc1)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.32
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
DAO P14920 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
SCHEMBL8528407 0.81 PTPN1 (0.41) FOLH1
SCHEMBL8531845 0.78 MEN1 (0.38) FOLH1
SCHEMBL8529423 0.78 KIF11 (0.38) FOLH1
SCHEMBL8528404 0.76 FDPS (0.38)
SCHEMBL8529288 0.75 PTPN5 (0.43)
SCHEMBL8532194 0.75 FDPS (0.45)
SCHEMBL8530829 0.75 ALDH1A1 (0.40)
SCHEMBL8532545 0.75 KIF11 (0.40) FOLH1
SCHEMBL8531385 0.74 GRM4 (0.39) SLC1A2
SCHEMBL8528037 0.74 SLC1A3 (0.36) FOLH1SLC1A3SLC1A2SLC1A1

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-0752999-B1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1998-10-28 EP disclosed
US-5698541-A DISEASES OF CALCIUM METABOLISM; OSTEOPOROSIS BOEHRINGER MANNHEIM GMBH (DE) 1997-12-16 US disclosed