SCHEMBL8529206

SCHEMBL8529206

COc1ccc(Cl)cc1C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
PPARA Q07869 1/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LDHA P00338 1/20 0.36
KCNMA1 Q12791 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACLY P53396 1/20 0.35
TSHR P16473 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TTR P02766 1/20 0.34

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
SCHEMBL8528109 0.83 KMT2A (0.38) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL8531598 0.76 SLC13A5 (0.39) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL8528404 0.72 FDPS (0.38) TSHR
SCHEMBL8531847 0.71 FDPS (0.38) HTTL3MBTL1NPSR1
SCHEMBL8532542 0.71 ACP3 (0.33)
SCHEMBL17420668 0.70 ALDH1A1 (0.47) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL8528407 0.69 PTPN1 (0.41) ALDH1A1
SCHEMBL8529423 0.69 KIF11 (0.38) ALDH1A1NPSR1MAPT
SCHEMBL8528190 0.68 ACP3 (0.48) TDP1
SCHEMBL7685832 0.67 LDHA (0.68) LMNAALDH1A1HTTLDHA

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