SCHEMBL8528123

SCHEMBL8528123

O=C(O)C(CC(CN1CCCCC1)(C(=O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
MAPT P10636 1/20 0.35
FOLH1 Q04609 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
FDPS P14324 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL8529730 0.99 ANPEP (0.35) ANPEPERAP2MAPTFOLH1CA12
SCHEMBL8533611 0.86 ANPEP (0.40) ANPEPFOLH1
SCHEMBL8867297 0.78 FDPS (0.33) FOLH1FDPS
SCHEMBL8528278 0.75 FOLH1 (0.41) FOLH1
SCHEMBL22770 0.73 FOLH1 (0.44) FOLH1
SCHEMBL8529495 0.73 FOLH1 (0.40) FOLH1
SCHEMBL8532025 0.73 METAP1 (0.41) FOLH1CA12CA1CA2CA9
SCHEMBL8527710 0.71 FDPS (0.51) CA12CA2CA9FDPS
SCHEMBL8531489 0.71 FOLH1 (0.38) FOLH1
SCHEMBL8531643 0.71 FOLH1 (0.38) FOLH1FDPS

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