SCHEMBL8845346

SCHEMBL8845346

CCCC(=O)O[C@@H]1[C@H](OC(=O)CCC)[C@H](OP(=O)(O)O)[C@@H](OC(=O)CCC)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 7/20 0.43
ITPR2 Q14571 3/20 0.42
ITPR1 Q14643 3/20 0.42
INPPL1 O15357 1/20 0.42
AKT1 P31749 1/20 0.42
TLR4 O00206 1/20 0.41
LY96 Q9Y6Y9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMPD1 P17405 2/20 0.40
INPP5A Q14642 1/20 0.38
PPIP5K2 O43314 1/20 0.37
PDPK1 O15530 1/20 0.35
MTOR P42345 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
SCHEMBL3073513 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL6389556 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL3078845 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL4870995 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL15134078 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL5667749 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL6388024 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL8498941 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL8844497 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL6393461 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1

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
US-5693521-A USING ACETOXYALKYL ESTER OF ADENOSINE(OR GUANOSINE)-3',5'-CYCLIC MONNOPHOSPHATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-12-02 US disclosed
WO-1994023724-A1 MEMBRANE-PERMEANT SECOND MESSENGERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-10-27 WO disclosed