SCHEMBL8994052

SCHEMBL8994052

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 8/20 1.00
ITPR2 Q14571 4/20 1.00
ITPR1 Q14643 4/20 1.00
INPP5A Q14642 2/20 0.84
INPPL1 O15357 1/20 0.75
AKT1 P31749 1/20 0.75
SMPD1 P17405 1/20 0.74

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
SCHEMBL9091859 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL9093199 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL9094714 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL2510044 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL9091912 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL405897 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL8775574 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL2044892 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL9387601 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL15067019 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2654779-A1 LIPOSOMAL FORMULATION OF NONGLYCOSIDIC CERAMIDES AND USES THEREOF Ludwig Institute for Cancer Research, Ltd. (US) 2013-10-30 EP disclosed
WO-2012088414-A1 LIPOSOMAL FORMULATION OF NONGLYCOSIDIC CERAMIDES AND USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. (US) 2012-06-28 WO disclosed
EP-0748210-A1 METHODS OF USING CYCLIC POLYANIONIC POLYOL DERIVATIVES FOR REGULATING SKIN WRINKLES THE PROCTER & GAMBLE COMPANY (US) 1996-12-18 EP disclosed
EP-0724445-A1 THE USE OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1996-08-07 EP disclosed
WO-1995023588-A1 METHODS OF USING CYCLIC POLYANIONIC POLYOL DERIVATIVES FOR REGULATING SKIN WRINKLES THE PROCTER & GAMBLE COMPANY (US) 1995-09-08 WO disclosed
WO-1995010285-A1 THE USE OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1995-04-20 WO disclosed
EP-0579957-A1 Preparation of isomers of myoinositol derivatives 3i RESEARCH EXPLOITATION LIMITED (GB) 1994-01-26 EP disclosed
EP-0376955-B1 PREPARATION OF ISOMERS OF MYO-INOSITOL DERIVATIVES 3I RES EXPL LTD (GB) 1994-01-05 EP disclosed
EP-0536269-A1 THE USE OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1993-04-14 EP disclosed
US-5128332-A Method of treating cardiovascular diseases using inositoltrisphosphate PERSTORP AB (SE) 1992-07-07 US disclosed
EP-0376955-A1 PREPARATION OF ISOMERS OF MYO-INOSITOL DERIVATIVES. 3I RES EXPLOIT LTD (GB) 1990-07-11 EP disclosed
WO-1989000156-A1 PREPARATION OF ISOMERS OF MYO-INOSITOL DERIVATIVES 3I RESEARCH EXPLOITATION LIMITED (GB) 1989-01-12 WO disclosed