SCHEMBL8533532

SCHEMBL8533532

O=C(O)C(CC(Cc1ccc(Cl)c(Cl)c1)(C(=O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
KIF11 P52732 1/20 0.40
PTPN5 P54829 2/20 0.35
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CCR2 P41597 1/20 0.33
TSHR P16473 1/20 0.33
PTPN1 P18031 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
KMO O15229 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
SCHEMBL8745046 0.89 FDPS (0.41) FDPSKIF11
SCHEMBL8527565 0.86 ACP3 (0.38) FDPSKIF11MMP8MMP14PPARG
SCHEMBL8528147 0.81 FDPS (0.46) FDPSPTPN1
SCHEMBL8528037 0.76 SLC1A3 (0.36) FDPS
SCHEMBL8528404 0.75 FDPS (0.38) FDPSKIF11PTPN5MMP8MMP14
SCHEMBL22770 0.72 FOLH1 (0.44) TSHR
SCHEMBL8532197 0.71 ANPEP (0.41) FDPSKIF11
SCHEMBL8866944 0.71 SLC1A3 (0.36) TSHRPTPN1
SCHEMBL8531479 0.71 CYP2C19 (0.43)
SCHEMBL8532177 0.71 FFAR1 (0.34)

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