SCHEMBL8533589

SCHEMBL8533589

O=C(O)C(CC(CCc1ccncc1)(C(=O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.40
ALPG P10696 2/20 0.38
HTT P42858 2/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERAP2 Q6P179 2/20 0.38
ERAP1 Q9NZ08 2/20 0.38
ANPEP P15144 2/20 0.38
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HIF1A Q16665 1/20 0.32

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
SCHEMBL8532197 0.89 ANPEP (0.41) FDPSERAP2ERAP1ANPEP
SCHEMBL8745040 0.87 CYP2C19 (0.34) FDPSALPGHTTALPLALPI
SCHEMBL8532177 0.86 FFAR1 (0.34) SMN1; SMN2RAB9AALDH1A1
SCHEMBL8529948 0.85 FDPS (0.55) FDPSERAP2ERAP1ANPEP
SCHEMBL8530904 0.79 CYP1A2 (0.45) FDPSHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL8529344 0.76 FDPS (0.44) FDPSHTTSMN1; SMN2
SCHEMBL8528147 0.75 FDPS (0.46) FDPSSMN1; SMN2ERAP2ERAP1ANPEP
SCHEMBL8745046 0.75 FDPS (0.41) FDPSSMN1; SMN2RAB9AALDH1A1
SCHEMBL8531643 0.74 FOLH1 (0.38) FDPSLMNA
SCHEMBL8532196 0.73 FOLH1 (0.37)

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