SCHEMBL29175993

SCHEMBL29175993

CC(C)CCCN(C)CCOP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MVD P53602 1/20 0.41
PIK3CD O00329 1/20 0.40
LPAR3 Q9UBY5 5/20 0.39
LPAR1 Q92633 3/20 0.39
LPAR2 Q9HBW0 3/20 0.39
GGPS1 O95749 7/20 0.37
CDC25A P30304 2/20 0.36
CDC25B P30305 2/20 0.36
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 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
SCHEMBL15780664 0.84 PIK3CD (0.59) MVDPIK3CDLPAR3LPAR1LPAR2
SCHEMBL15780701 0.80 LPAR3 (0.57) MVDLPAR3LPAR1LPAR2GGPS1
SCHEMBL3427382 0.80 MVD (0.44) MVDLPAR3LPAR1LPAR2GGPS1
SCHEMBL3427385 0.80 MVD (0.44) MVDLPAR3LPAR1LPAR2GGPS1
SCHEMBL1923637 0.79 LPAR3 (0.54) LPAR3LPAR1LPAR2CDC25ACDC25B
SCHEMBL13531689 0.77 MVD (0.47) MVDPIK3CDLPAR3LPAR1LPAR2
SCHEMBL11932517 0.77 PIK3CD (0.65) PIK3CD
SCHEMBL215088 0.77 LPAR3 (0.57) LPAR3LPAR1LPAR2CDC25ACDC25B
SCHEMBL14878491 0.77 LPAR3 (0.63) MVDLPAR3LPAR1LPAR2GGPS1
SCHEMBL14645346 0.77 LPAR3 (0.63) MVDLPAR3LPAR1LPAR2GGPS1

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
CN-117752605-A Prescription combination of novel amphiphilic astaxanthin nanoemulsion and preparation method thereof 李小兰 2024-03-26 CN disclosed
CN-117752605-A Prescription combination of novel amphiphilic astaxanthin nanoemulsion and preparation method thereof 李小兰 2024-03-26 CN disclosed