SCHEMBL4333883

SCHEMBL4333883

[O]Cc1ccc(Cl)c(OP(=O)(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 12/20 0.45
INPP5A Q14642 6/20 0.45
INPP5B P32019 2/20 0.45
AKT1 P31749 1/20 0.41
FDPS P14324 1/20 0.39
STAT5A P42229 3/20 0.36
STAT5B P51692 3/20 0.36
HDAC8 Q9BY41 1/20 0.35
SRC P12931 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PDE3A Q14432 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4580479 0.78 INPPL1 (0.52) INPPL1INPP5AINPP5BAKT1ALDH1A1
SCHEMBL2991418 0.77 INPPL1 (0.42) INPPL1INPP5AINPP5BAKT1SRC
SCHEMBL7668780 0.74 ALDH1A1 (0.47) KDM4EUSP2ALDH1A1HPGD
SCHEMBL21407745 0.72 NPC1 (0.50) INPPL1INPP5AINPP5BAKT1FDPS
SCHEMBL15315299 0.71 INPPL1 (0.58) INPPL1INPP5AINPP5BAKT1SRC
SCHEMBL2127225 0.70 LMNA (0.64) INPPL1INPP5AINPP5BAKT1SRC
SCHEMBL1696485 0.69 INPPL1 (0.41) INPPL1INPP5AINPP5BAKT1SRC
SCHEMBL258268 0.68 INPPL1 (0.54) INPPL1INPP5AINPP5BAKT1SRC
SCHEMBL30023648 0.68 INPPL1 (0.54) INPPL1INPP5AINPP5BAKT1SRC
Hydrochloric Acid SCHEMBL29188656 0.68 LMNA (0.62) INPPL1INPP5AINPP5BAKT1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048140-A1 Deuterated chemiluminescent 1,2-dioxetanes Giri, Brij P. (US) 2009-04-15 EP disclosed
EP-1453822-A4 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ P (US) 2004-11-24 EP disclosed
EP-1453822-A2 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES Giri, Brij P. (US) 2004-09-08 EP disclosed
WO-2003054506-A2 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ PAL (US) 2003-07-03 WO disclosed