SCHEMBL8527624

SCHEMBL8527624

O=C(O)C(CC(C(=O)O)(c1ccco1)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
PKM P14618 2/20 0.37
POLB P06746 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN7 P35236 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 1/20 0.33
FOLH1 Q04609 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
MIF P14174 1/20 0.31
ALDH1A1 P00352 2/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 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
SCHEMBL8528407 0.79 PTPN1 (0.41) PTPN1FOLH1ALDH1A1
SCHEMBL8866944 0.74 SLC1A3 (0.36) CYP2C19L3MBTL1PKMPOLBPTPN1
SCHEMBL8531845 0.72 MEN1 (0.38) L3MBTL1PTPN1KMT2AFOLH1
SCHEMBL8529423 0.72 KIF11 (0.38) PTPN1FOLH1ALDH1A1RAB9AMAPT
SCHEMBL8532194 0.72 FDPS (0.45)
SCHEMBL8528190 0.71 ACP3 (0.48)
SCHEMBL8528275 0.71 PTPN1 (0.48) PTPN1
SCHEMBL8528404 0.70 FDPS (0.38)
SCHEMBL8529463 0.70 FOLH1 (0.32) FOLH1
SCHEMBL8529360 0.70 FDPS (0.38) KMT2AGLARECQLRAB9ASMN1; SMN2

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