SCHEMBL19975918

SCHEMBL19975918

CCCCCCCC/C=C\CCCCCCCCO[C@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 9/20 0.47
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 3/20 0.43
S1PR4 O95977 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
KCNH2 Q12809 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL14889629 0.83 S1PR5 (0.46) S1PR5S1PR1S1PR3S1PR4NPC1
SCHEMBL14889959 0.83 S1PR5 (0.46) S1PR5S1PR1S1PR3S1PR4NPC1
SCHEMBL14900550 0.83 S1PR5 (0.46) S1PR5S1PR1S1PR3S1PR4NPC1
SCHEMBL14890021 0.83 S1PR5 (0.46) S1PR5S1PR1S1PR3S1PR4NPC1
SCHEMBL14889754 0.83 S1PR5 (0.46) S1PR5S1PR1S1PR3S1PR4NPC1
SCHEMBL14890022 0.83 S1PR5 (0.46) S1PR5S1PR1S1PR3S1PR4NPC1
SCHEMBL14760268 0.83 S1PR5 (0.46) S1PR5S1PR1S1PR3S1PR4NPC1
SCHEMBL14760269 0.83 S1PR5 (0.46) S1PR5S1PR1S1PR3S1PR4NPC1
SCHEMBL14889632 0.83 S1PR5 (0.46) S1PR5S1PR1S1PR3S1PR4NPC1
SCHEMBL14889962 0.83 S1PR5 (0.46) S1PR5S1PR1S1PR3S1PR4NPC1

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-9920028-B2 Cationic lipid KYOWA HAKKO KIRIN CO., LTD. (JP) 2018-03-20 US disclosed