SCHEMBL4601846

SCHEMBL4601846

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.54
AKT2 P31751 4/20 0.54
AKT3 Q9Y243 4/20 0.54
PIK3R1 P27986 3/20 0.54
PIK3CA P42336 3/20 0.54
PLCG2 P16885 2/20 0.50
GAB1 Q13480 1/20 0.50
SMPD1 P17405 1/20 0.47
ITPR3 Q14573 2/20 0.45
ITPR1 Q14643 2/20 0.45
MAPK14 Q16539 1/20 0.45
LPAR1 Q92633 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
GPR55 Q9Y2T6 2/20 0.43
ITPR2 Q14571 1/20 0.43
INPP5A Q14642 1/20 0.43
NR5A2 O00482 1/20 0.43
NR5A1 Q13285 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
SCHEMBL11131399 0.84 LPAR1 (0.56) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL4601441 0.82 AKT1 (0.57) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL4565034 0.80 AKT1 (0.64) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL87627 0.77 LPAR3 (0.58) SMPD1LPAR1LPAR3
SCHEMBL173661 0.77 LPAR3 (0.58) SMPD1LPAR1LPAR3
SCHEMBL9346178 0.76 LPAR3 (0.60) SMPD1LPAR1LPAR3
SCHEMBL8724394 0.76 LPAR3 (0.60) SMPD1LPAR1LPAR3
SCHEMBL7549117 0.76 LPAR3 (0.60) SMPD1LPAR1LPAR3
SCHEMBL9496438 0.75 LPAR3 (0.56) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL17416063 0.74 AKT1 (0.85) AKT1AKT2AKT3PIK3R1PIK3CA

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