SCHEMBL3654572

SCHEMBL3654572

CCCCOC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 8/20 0.59
GBA1 P04062 1/20 0.55
ITPR1 Q14643 4/20 0.53
ITPR2 Q14571 3/20 0.53
INPP5A Q14642 1/20 0.52
INPPL1 O15357 1/20 0.52
AKT1 P31749 1/20 0.52
SMPD1 P17405 1/20 0.45

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
SCHEMBL8500705 0.97 ITPR3 (0.57) ITPR3GBA1ITPR1ITPR2INPP5A
SCHEMBL8496576 0.97 ITPR3 (0.57) ITPR3GBA1ITPR1ITPR2INPP5A
SCHEMBL3075480 0.93 GBA1 (0.66) ITPR3GBA1ITPR1ITPR2INPP5A
SCHEMBL3645971 0.89 ITPR3 (0.63) ITPR3ITPR1ITPR2INPP5AINPPL1
SCHEMBL3069188 0.89 PDPK1 (0.47) ITPR3GBA1ITPR1ITPR2INPPL1
SCHEMBL3073627 0.89 PDPK1 (0.47) ITPR3GBA1ITPR1ITPR2INPPL1
SCHEMBL8500649 0.89 PDPK1 (0.47) ITPR3GBA1ITPR1ITPR2INPPL1
SCHEMBL8496685 0.89 PDPK1 (0.47) ITPR3GBA1ITPR1ITPR2INPPL1
SCHEMBL3086336 0.84 LPAR3 (0.52) ITPR3GBA1ITPR1ITPR2INPPL1
SCHEMBL3080816 0.84 LPAR3 (0.52) ITPR3GBA1ITPR1ITPR2INPPL1

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