SCHEMBL8533611

SCHEMBL8533611

O=C(O)C(CC(CN1CCOCC1)(C(=O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.40
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
FOLH1 Q04609 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
USP2 O75604 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 0.87 ANPEP (0.35) ANPEPFOLH1
SCHEMBL8528123 0.86 ANPEP (0.37) ANPEPFOLH1
SCHEMBL8528278 0.73 FOLH1 (0.41) FOLH1
SCHEMBL8529495 0.71 FOLH1 (0.40) FOLH1
SCHEMBL22770 0.71 FOLH1 (0.44) ALDH1A1FOLH1TSHR
SCHEMBL8867297 0.70 FDPS (0.33) FOLH1
SCHEMBL8527710 0.69 FDPS (0.51) ALDH1A1MMP8
SCHEMBL8531489 0.69 FOLH1 (0.38) FOLH1
SCHEMBL8531643 0.69 FOLH1 (0.38) FOLH1
SCHEMBL8532196 0.68 FOLH1 (0.37) FOLH1

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