SCHEMBL8528014

SCHEMBL8528014

O=C(O)C(CC(C(=O)O)(c1c[nH]c2ccccc12)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
MPO P05164 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ADAM17 P78536 1/20 0.36
DNMT1 P26358 1/20 0.36

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
SCHEMBL8528190 0.79 ACP3 (0.48)
SCHEMBL8531881 0.77 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL8528407 0.76 PTPN1 (0.41) ALDH1A1
SCHEMBL8532218 0.70 FOLH1 (0.31)
SCHEMBL8527312 0.69 ACP3 (0.34) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL8531520 0.69 FOLH1 (0.30)
SCHEMBL8528275 0.69 PTPN1 (0.48) ACESLC6A2
SCHEMBL8530305 0.69 FDPS (0.38)
SCHEMBL8527624 0.69 CYP2C19 (0.38) SMN1; SMN2MAPTKMT2APOLBRECQL
SCHEMBL7108667 0.68 MEN1 (0.41) SMN1; SMN2MAPTKDM4EMEN1KMT2A

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