SCHEMBL24172018

SCHEMBL24172018

CCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCC)N1CCC(N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.41
LPAR2 Q9HBW0 6/20 0.41
LPAR1 Q92633 5/20 0.41
AKT1 P31749 2/20 0.38
TERT O14746 1/20 0.38
UCHL3 P15374 1/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CDC25A P30304 2/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AGTR1 P30556 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP3A4 P08684 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
LPAR5 Q9H1C0 1/20 0.33
HTR2A P28223 1/20 0.32

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
SCHEMBL24172004 0.75 CDC25A (0.40) LPAR3LPAR2LPAR1AKT1TERT
SCHEMBL14506871 0.71 LPAR3 (0.46) LPAR3LPAR2LPAR1AKT1TERT
SCHEMBL15443877 0.70 L3MBTL3 (0.33)
SCHEMBL19273640 0.67 GNAO1 (0.59) KCNH2
SCHEMBL24040198 0.67 GNAO1 (0.59) KCNH2
SCHEMBL23921893 0.67 GNAO1 (0.59) KCNH2
SCHEMBL24172979 0.67 LPAR3 (0.40) LPAR3LPAR2LPAR1AKT1TERT
Iodide SCHEMBL23001105 0.66 GNAO1 (0.58) KCNH2
Iodide SCHEMBL23001162 0.66 GNAO1 (0.58) KCNH2
SCHEMBL24040221 0.64 SPHK1 (0.38) SPHK1ADH1CADH1AADH4

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-2022002040-A1 LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS Suzhou Abogen Biosciences Co., Ltd. (CN) 2022-01-06 WO disclosed