SCHEMBL10714751

SCHEMBL10714751

O=P(O)(O)C(CN1CCSCC1)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.50
ANPEP P15144 2/20 0.41
ERAP2 Q6P179 1/20 0.41
GAA P10253 1/20 0.31
FAAH O00519 1/20 0.30
PHGDH O43175 1/20 0.30
MGLL Q99685 1/20 0.30
MAPT P10636 1/20 0.30
GGPS1 O95749 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
SCHEMBL8597910 0.80 ANPEP (0.61) FDPSANPEPERAP2MAPT
SCHEMBL8991677 0.78 ANPEP (0.64) FDPSANPEPERAP2GAAMAPT
SCHEMBL8675612 0.78 ANPEP (0.64) FDPSANPEPERAP2GAAMAPT
SCHEMBL19350140 0.76 FDPS (0.50) FDPSANPEPERAP2GAAFAAH
SCHEMBL8671774 0.73 ANPEP (0.53) FDPSANPEPERAP2MAPTGGPS1
SCHEMBL8672081 0.72 MEN1 (0.41) ANPEPERAP2MAPT
SCHEMBL17397419 0.70 MEN1 (0.39) FDPSGAAFAAHPHGDHMGLL
SCHEMBL14160640 0.67 GAA (0.39) GAAFAAHPHGDHMGLLMAPT
SCHEMBL9124652 0.67 GAA (0.39) FDPSGAAFAAHPHGDHMGLL
Thiomorpholinomethylenediphosphonic Acid SCHEMBL1471965 0.67 FDPS (1.00) FDPS

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-0248854-A1 NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION. LEO PHARM PROD LTD (DK) 1987-12-16 EP disclosed
WO-1987003598-A1 NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1987-06-18 WO disclosed