SCHEMBL8446159

SCHEMBL8446159

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 5/20 0.35
ITPR2 Q14571 2/20 0.35
ITPR1 Q14643 2/20 0.35
INPP5A Q14642 1/20 0.35
INPPL1 O15357 1/20 0.35
AKT1 P31749 1/20 0.35
LY96 Q9Y6Y9 6/20 0.35
TLR4 O00206 5/20 0.35
ALDH1A1 P00352 1/20 0.34
SMPD1 P17405 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3075859 0.92 ALDH1A1 (0.38) LY96TLR4ALDH1A1LMNA
SCHEMBL9000958 0.85 ITPR3 (0.52) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL3080244 0.83 LY96 (0.43) LY96TLR4
SCHEMBL3080744 0.81 LY96 (0.47) LY96TLR4
SCHEMBL8498938 0.81 ITPR3 (0.55) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL9393011 0.79 ITPR3 (0.52) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL3087052 0.78 PPARD (0.34) LY96TLR4
SCHEMBL14094698 0.77 ALDH1A1 (0.50) ALDH1A1LMNA
SCHEMBL8444060 0.77 GPR55 (0.37) AKT1LY96TLR4SMPD1
SCHEMBL5667749 0.76 ITPR3 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910383-A1 THE USE OF GROWTH FACTOR MODULATING COMPOUNDS PERSTORP AB (SE) 1999-04-28 EP disclosed
WO-1997049408-A1 THE USE OF GROWTH FACTOR MODULATING COMPOUNDS PERSTORP AB (SE) 1997-12-31 WO disclosed