SCHEMBL4601441

SCHEMBL4601441

CCCCCO[C@@H](CO)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.57
AKT2 P31751 3/20 0.56
AKT3 Q9Y243 3/20 0.56
PIK3R1 P27986 2/20 0.56
PIK3CA P42336 2/20 0.56
SMPD1 P17405 1/20 0.56
PLCG2 P16885 2/20 0.52
GAB1 Q13480 1/20 0.52
GPR55 Q9Y2T6 3/20 0.52
NR5A2 O00482 1/20 0.51
NR5A1 Q13285 1/20 0.51
ITPR3 Q14573 1/20 0.50
ITPR1 Q14643 1/20 0.50
LPAR1 Q92633 2/20 0.48
LPAR3 Q9UBY5 2/20 0.48
MAPK14 Q16539 2/20 0.46

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
SCHEMBL4565034 0.88 AKT1 (0.64) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL11131399 0.85 LPAR1 (0.56) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL749657 0.83 AKT1 (0.70) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL1082266 0.83 AKT1 (0.70) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL4601846 0.82 AKT1 (0.54) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL13111076 0.78 SMPD1 (0.79) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL13111188 0.78 SMPD1 (0.79) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL3261983 0.78 LPAR3 (0.74) LPAR1LPAR3
SCHEMBL4435249 0.78 LPAR3 (0.74) LPAR1LPAR3
SCHEMBL1534300 0.78 LPAR3 (0.74) LPAR1LPAR3

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-1885385-A2 PHOSPHATIDYLINOSITOL COMBINATION COMPOSITION AND 3'-PHOSPHORYLATED LYSOPHOSPHATIDYLINOSITOLS IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISEASES THURNHER, Martin Andreas (AT) 2008-02-13 EP disclosed
WO-2006128679-A2 PHOSPHATIDYLINOSITOL COMPOSITION AND 3'-PHOSPHORYLATED LYSOPHOSPHATIDYLINOSITOLS IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISEASES THURNHER MARTIN ANDREAS (AT) 2006-12-07 WO disclosed