SCHEMBL9738866

SCHEMBL9738866

CCCCCCC(O)C[N+](C)(C)CCOP(=O)(OCC[N+](C)(C)CC(O)CCCCCC)OCC[N+](C)(C)CC(O)CCCCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.60
PLA2G1B P04054 2/20 0.60
MMP2 P08253 2/20 0.60
ATG4B Q9Y4P1 2/20 0.60
HSP90AA1 P07900 1/20 0.60
RAD52 P43351 1/20 0.49
CYP3A4 P08684 2/20 0.43
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CDC25A P30304 1/20 0.42
AGTR1 P30556 1/20 0.42
AKT1 P31749 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
GPR84 Q9NQS5 4/20 0.40
LPAR5 Q9H1C0 1/20 0.40
SMPD1 P17405 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 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
SCHEMBL9836097 1.00 PSMD14 (0.60) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL6243942 0.90 PSMD14 (0.59) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL6237246 0.90 PSMD14 (0.59) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL9738872 0.90 PSMD14 (0.59) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL6235592 0.90 PSMD14 (0.59) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL9837876 0.87 LPAR5 (0.57) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL9837918 0.87 LPAR5 (0.57) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL9738875 0.87 PLA2G1B (0.56) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL9836109 0.87 PLA2G1B (0.56) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL10669620 0.80 LMNA (0.58) PSMD14PLA2G1BMMP2ATG4BHSP90AA1

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
JP-4159209-A None JP disclosed
JP-H04159209-A SHAMPOO COMPOSITION KANEBO LTD 1992-06-02 JP disclosed