SCHEMBL6818683

SCHEMBL6818683

CCCCCCC(=O)C(OP(=O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O)(C(=O)CCCCCC)[C@@H](O)CO

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 4/20 0.52
AKT1 P31749 7/20 0.43
PLCG2 P16885 2/20 0.43
AKT2 P31751 5/20 0.41
AKT3 Q9Y243 5/20 0.41
PIK3R1 P27986 4/20 0.41
PIK3CA P42336 4/20 0.41
SMPD1 P17405 1/20 0.41
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
GBA1 P04062 1/20 0.35
GAB1 Q13480 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
SCHEMBL4445359 0.91 SMPD1 (0.48) GPR55AKT1PLCG2AKT2AKT3
SCHEMBL9951865 0.82 LPAR1 (0.43)
SCHEMBL5962134 0.82 LPAR1 (0.43)
SCHEMBL5011536 0.81 SMPD1 (0.44) SMPD1
SCHEMBL1700578 0.81 SMPD1 (0.44) SMPD1
SCHEMBL875712 0.81 SMPD1 (0.44) SMPD1
SCHEMBL7807533 0.81 SMPD1 (0.44) SMPD1
SCHEMBL9951538 0.81 SMPD1 (0.44) SMPD1
SCHEMBL4752182 0.81 SMPD1 (0.44) SMPD1
SCHEMBL29752854 0.81 SMPD1 (0.44) SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737536-B1 SINGLE DIASTEREOMERIC FORM HAVING PHOSPHATIDYL-MYO-INOSITOL STRUCTURE NUTRIMED BIOTECH 2004-05-18 US disclosed