SCHEMBL8949745

SCHEMBL8949745

O=[PH](CP(=O)(O)O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
PDPK1 O15530 1/20 0.44
MTOR P42345 1/20 0.44
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44
LAP3 P28838 3/20 0.41
CETP P11597 3/20 0.41
ANPEP P15144 3/20 0.41
ACP3 P15309 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ERAP1 Q9NZ08 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ERAP2 Q6P179 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FDPS P14324 1/20 0.38

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
SCHEMBL698616 0.77 TSHR (0.48) TSHRALDH1A1NPC1RAB9AMAPK1
SCHEMBL15961256 0.75 TSHR (0.46) TSHRALDH1A1NPC1RAB9AMAPK1
SCHEMBL969878 0.75 TSHR (0.46) TSHRALDH1A1NPC1RAB9AMAPK1
Hydrochloric Acid SCHEMBL7385052 0.75 AGXT (0.46) TSHRALDH1A1NPC1RAB9AMAPK1
SCHEMBL8949893 0.75 CA9 (0.40) TSHRACP3ALDH1A1FDPS
SCHEMBL8949914 0.75 FFAR1 (0.38) TSHRALDH1A1NPC1RAB9AMAPK1
SCHEMBL1631357 0.73 TSHR (0.44) TSHRCETPALDH1A1RAB9AMAPK1
SCHEMBL36370 0.72 TSHR (0.52) TSHRALDH1A1NPC1RAB9AMAPK1
SCHEMBL29806030 0.72 TSHR (0.52) TSHRALDH1A1NPC1RAB9AMAPK1
SCHEMBL28596361 0.72 TSHR (0.43) TSHRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574024-A Methylene phosphonoalkylphosphinates, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism EBETINO FRANK H (US) 1996-11-12 US disclosed
EP-0298553-B1 METHYLENE PHOSPHONOALKYLPHOSPHINATES, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM Norwich Eaton Pharmaceuticals, Inc. (US) 1992-01-15 EP disclosed
EP-0298553-A1 Methylene phosphonoalkylphosphinates, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism Norwich Eaton Pharmaceuticals, Inc. (US) 1989-01-11 EP disclosed