SCHEMBL10596171

SCHEMBL10596171

CCCCCC(CCCCC)(OP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(O)CO

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 4/20 0.45
AKT1 P31749 6/20 0.42
AKT2 P31751 4/20 0.42
AKT3 Q9Y243 4/20 0.42
PIK3R1 P27986 3/20 0.42
PIK3CA P42336 3/20 0.42
PLCG2 P16885 2/20 0.37
SMPD1 P17405 4/20 0.36
GBA1 P04062 1/20 0.36
GAB1 Q13480 1/20 0.35
GGPS1 O95749 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
SCHEMBL19471840 1.00 GPR55 (0.45) GPR55AKT1AKT2AKT3PIK3R1
SCHEMBL6854212 0.80 SMPD1 (0.44) SMPD1GGPS1
SCHEMBL2224902 0.79 SMPD1 (0.46) SMPD1GGPS1
SCHEMBL6818683 0.78 GPR55 (0.52) GPR55AKT1AKT2AKT3PIK3R1
SCHEMBL11021842 0.78 SMPD1 (0.56) SMPD1GGPS1
SCHEMBL11024893 0.78 SMPD1 (0.56) SMPD1GGPS1
SCHEMBL8472151 0.75 PLA2G2C (0.41) SMPD1GGPS1
SCHEMBL9115436 0.74 PLA2G2C (0.43) SMPD1GGPS1
SCHEMBL4945413 0.72 FDPS (0.41) SMPD1GGPS1
Monoethanolamine SCHEMBL27867926 0.72 SMPD1 (0.51) SMPD1GGPS1

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
EP-0147741-B1 PHARMACEUTICAL COMPOSITION WITH SPECIAL 1,2-DIACYL-GLYCERO-3-PHOSPHOCHOLINES FOR THE TREATMENT OF DISEASES OF THE STOMACH AND THE INTESTINES A. Nattermann & Cie. GmbH (DE) 1989-08-02 EP claimed