SCHEMBL3645971

SCHEMBL3645971

CCCOC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 8/20 0.63
ITPR1 Q14643 4/20 0.57
ITPR2 Q14571 3/20 0.57
INPP5A Q14642 2/20 0.55
INPPL1 O15357 1/20 0.55
AKT1 P31749 1/20 0.55
SMPD1 P17405 1/20 0.48

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
SCHEMBL3654572 0.89 ITPR3 (0.59) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL3075922 0.88 PDPK1 (0.50) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL3073490 0.88 PDPK1 (0.50) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL3075480 0.86 GBA1 (0.66) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL8500705 0.86 ITPR3 (0.57) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL8496576 0.86 ITPR3 (0.57) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL9439428 0.79 ITPR3 (1.00) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL356762 0.79 ITPR3 (1.00) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL9439604 0.79 ITPR3 (1.00) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL544343 0.79 ITPR3 (1.00) ITPR3ITPR1ITPR2INPP5AINPPL1

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-2187892-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA Bioneris AB (SE) 2010-05-26 EP disclosed
WO-2009038533-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA BIONERIS AB (SE) 2009-03-26 WO disclosed