SCHEMBL5366068

SCHEMBL5366068

C=CCOC(=O)/C(NCCCCC)=C(\NCCCCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
EPHX1 P07099 7/20 0.40
EPHX2 P34913 6/20 0.39
FAAH O00519 2/20 0.39
CASP2 P42575 1/20 0.37
ACHE P22303 1/20 0.37
POLB P06746 1/20 0.35

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
SCHEMBL8760455 0.80 TSHR (0.50) TSHRZDHHC20ZDHHC2EPHX1FAAH
SCHEMBL5363816 0.79 EPHX1 (0.60) ZDHHC20ZDHHC2EPHX1CASP2
SCHEMBL5363824 0.79 EPHX1 (0.60) ZDHHC20ZDHHC2EPHX1CASP2
SCHEMBL29940 0.78 ACHE (0.56) TSHRZDHHC20ZDHHC2EPHX1EPHX2
SCHEMBL8769221 0.76 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1EPHX2
SCHEMBL6332081 0.76 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1EPHX2
SCHEMBL8769159 0.76 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1EPHX2
SCHEMBL14328774 0.76 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1EPHX2
SCHEMBL6332791 0.76 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1EPHX2
SCHEMBL10349440 0.76 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1EPHX2

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
JP-2007153757-A METHOD FOR PRODUCING 1,2-DIARYLAMINO-1,2-ETHYLENEDICARBOXYLIC ACID ALKYL ESTER DAINIPPON INK & CHEM INC 2007-06-21 JP disclosed