SCHEMBL9738875

SCHEMBL9738875

CCCCCCC(O)C[N+](C)(C)CCOP(=O)([O-])O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 3/20 0.56
PSMD14 O00487 2/20 0.56
MMP2 P08253 2/20 0.56
ATG4B Q9Y4P1 2/20 0.56
HSP90AA1 P07900 1/20 0.56
LMNA P02545 2/20 0.46
AKT1 P31749 2/20 0.46
ESR1 P03372 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CDC25A P30304 1/20 0.46
AGTR1 P30556 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
RAD52 P43351 1/20 0.46
LPAR5 Q9H1C0 1/20 0.40
PLA2G2A P14555 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40

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
SCHEMBL9836109 1.00 PLA2G1B (0.56) PLA2G1BPSMD14MMP2ATG4BHSP90AA1
SCHEMBL6237246 0.89 PSMD14 (0.59) PLA2G1BPSMD14MMP2ATG4BHSP90AA1
SCHEMBL6243942 0.89 PSMD14 (0.59) PLA2G1BPSMD14MMP2ATG4BHSP90AA1
SCHEMBL6235592 0.89 PSMD14 (0.59) PLA2G1BPSMD14MMP2ATG4BHSP90AA1
SCHEMBL9738872 0.89 PSMD14 (0.59) PLA2G1BPSMD14MMP2ATG4BHSP90AA1
SCHEMBL9837924 0.88 LPAR5 (0.57) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL9837884 0.88 LPAR5 (0.57) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL9836097 0.87 PSMD14 (0.60) PLA2G1BPSMD14MMP2ATG4BHSP90AA1
SCHEMBL9738866 0.87 PSMD14 (0.60) PLA2G1BPSMD14MMP2ATG4BHSP90AA1
SCHEMBL10669620 0.82 LMNA (0.58) PLA2G1BPSMD14MMP2ATG4BHSP90AA1

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