SCHEMBL3655684

SCHEMBL3655684

O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](CO)OC(O)[C@H]1OP(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITPR3 Q14573 6/20 0.47
▸ ITPR2 Q14571 2/20 0.45
▸ ITPR1 Q14643 2/20 0.45
▸ INPPL1 O15357 1/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ SMPD1 P17405 1/20 0.43

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
SCHEMBL3651791 1.00 ITPR3 (0.47) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL3656282 1.00 ITPR3 (0.47) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL4191662 0.87 SMPD1 (0.50) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL7798872 0.87 SMPD1 (0.50) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL4442196 0.87 SMPD1 (0.50) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL8859419 0.85 ITPR3 (0.52) ITPR3ITPR2ITPR1SMPD1
SCHEMBL30412792 0.85 ITPR3 (0.52) ITPR3ITPR2ITPR1SMPD1
SCHEMBL4596697 0.85 SMPD1 (0.48) ITPR3ITPR2ITPR1SMPD1
SCHEMBL4595256 0.85 SMPD1 (0.48) ITPR3ITPR2ITPR1SMPD1
SCHEMBL5378658 0.85 SMPD1 (0.48) ITPR3ITPR2ITPR1SMPD1

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 claimed
WO-2009038533-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA BIONERIS AB (SE) 2009-03-26 — — WO claimed
Send feedback