SCHEMBL3294445

SCHEMBL3294445

CCCCOC(=O)OCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
CYP2D6 P10635 2/20 0.50
KCNH2 Q12809 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CYP2C9 P11712 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD4 P21917 1/20 0.50
ACHE P22303 1/20 0.50
SLC6A2 P23975 1/20 0.50
HRH2 P25021 1/20 0.50
HTR2A P28223 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL165769 0.87 KMT2A (0.54) ALDH1A1CYP2D6HRH3CYP1A2CHRM2
SCHEMBL16448948 0.85 ATM (0.62) THRBALDH1A1LMNACYP2D6KCNH2
SCHEMBL167209 0.85 KMT2A (0.51) ALDH1A1CYP2D6HRH3CYP1A2CHRM2
SCHEMBL16829927 0.83 CYP2D6 (0.57) ALDH1A1CYP2D6KCNH2HRH3CYP1A2
SCHEMBL31259111 0.81 ALDH1A1 (0.59) THRBALDH1A1LMNACYP2D6KCNH2
SCHEMBL12014422 0.81 ALDH1A1 (0.59) THRBALDH1A1LMNACYP2D6KCNH2
SCHEMBL10175033 0.81 ALDH1A1 (0.53) THRBALDH1A1LMNACYP2D6KCNH2
SCHEMBL16448941 0.81 HCAR2 (0.57) THRBALDH1A1LMNACYP2D6KCNH2
SCHEMBL12014419 0.80 KMT2A (0.49) KDM4EKMT2AMEN1
SCHEMBL12120094 0.80 DGKA (0.58) THRBALDH1A1LMNACYP2D6KCNH2

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
US-7727704-B2 Positive resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080008960-A1 Mixture of an adamantane acrylic ester resin which becomes soluble in alkaline developer under action of an acid and sulfonium salt acid generator; microlithography with advantages of resolution, pattern density dependence and mask fidelity; use in precise microfabrication SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-01-10 US disclosed