SCHEMBL6080210

SCHEMBL6080210

CCC(C)OC(=O)C(CCCCCCCl)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.39
MAPT P10636 2/20 0.35
ACE2 Q9BYF1 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2224240 0.93 MAPT (0.37) FAAHMAPTTDP1MEN1KMT2A
SCHEMBL5849651 0.87 FAAH (0.51) FAAHMAPTACE2GPR84FFAR1
SCHEMBL1703441 0.84 FAAH (0.42) FAAHMAPTACE2GPR84FFAR1
SCHEMBL1702873 0.84 FAAH (0.42) FAAHMAPTACE2GPR84FFAR1
SCHEMBL4089567 0.84 FAAH (0.42) FAAHMAPTACE2GPR84FFAR1
SCHEMBL6910766 0.83 CA2 (0.47) FAAHMAPTACE2GPR84FFAR1
SCHEMBL1890789 0.80 TDP1 (0.49) MAPTGPR84FFAR1LCKPPARD
SCHEMBL14685886 0.79 ALDH1A1 (0.43) FAAHMAPTALDH1A1TDP1MEN1
SCHEMBL335124 0.79 CHRM1 (0.41) FAAHMAPTACE2GPR84FFAR1
SCHEMBL11069012 0.79 TP53 (0.44) FAAHMAPTACE2GPR84FFAR1

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-7038072-B2 Process for monoalkylation of C-H acidic methylene groups DEGUSSA AG (DE) 2006-05-02 US disclosed
US-20040054226-A1 Process for monoalkylation of C-H acidic methylene groups DEGUSSA AG 2004-03-18 US disclosed