SCHEMBL25914044

SCHEMBL25914044

CCCCCCCCC(CCCCCC)C(=O)N(CCCCCC)CCCCCCN(C)CCCCCCN(C)CCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
CA2 P00918 2/20 0.44
GGPS1 O95749 4/20 0.44
KDM4C Q9H3R0 6/20 0.43
KDM5A P29375 5/20 0.43
PHF8 Q9UPP1 2/20 0.43
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
KDM4A O75164 2/20 0.40
FDPS P14324 1/20 0.39
AGTR1 P30556 1/20 0.39
OPRM1 P35372 1/20 0.39
PDE3A Q14432 1/20 0.39
GPR84 Q9NQS5 3/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL25414195 1.00 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5CA2
SCHEMBL25317185 0.86 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5CA2
SCHEMBL13003584 0.85 CA2 (0.50) CA2GRIK1GRIK2GPR84CA12
SCHEMBL20840951 0.83 CA2 (0.47) CA2GRIK1GRIK2GPR84CA12
SCHEMBL25320247 0.83 MAPT (0.51) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL850537 0.82 CA2 (0.47) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL7777862 0.82 CA2 (0.47) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL849829 0.82 CA2 (0.47) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL6948533 0.82 GRIK1 (0.54) S1PR2S1PR1S1PR3S1PR5CA2
SCHEMBL6950336 0.82 GRIK1 (0.54) S1PR2S1PR1S1PR3S1PR5CA2

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
WO-2023114943-A2 LIPIDS FOR USE IN LIPID NANOPARTICLE FORMULATIONS Acuitas Therapeutics, Inc. (CA) 2023-06-22 WO disclosed