SCHEMBL8528152

SCHEMBL8528152

CCCCOCC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
FOLH1 Q04609 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR5 Q9H1C0 1/20 0.31
P2RY10 O00398 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
FDPS P14324 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
SCHEMBL8745045 0.93
SCHEMBL8528388 0.86 FOLH1 (0.35) FOLH1
SCHEMBL8866988 0.81 FDPS (0.40) FOLH1LPAR1LPAR3FNTAFNTB
SCHEMBL8529077 0.79 GGPS1 (0.45) LPAR1LPAR3FNTAFNTBFDPS
SCHEMBL8529495 0.78 FOLH1 (0.40) FOLH1
SCHEMBL8532441 0.76 FOLH1 (0.36) FOLH1
SCHEMBL8528278 0.73 FOLH1 (0.41) FOLH1
SCHEMBL8867725 0.71 LAP3 (0.35) FOLH1FDPS
SCHEMBL22770 0.71 FOLH1 (0.44) TSHRFOLH1HPGD
SCHEMBL8745035 0.71 GGPS1 (0.37) LPAR1LPAR3FNTAFNTBFDPS

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