SCHEMBL5371355

SCHEMBL5371355

CCCCC(CCCCCCCCCCC(C)C)OC(=O)C1CCC(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
CTSK P43235 2/20 0.34
CNR1 P21554 2/20 0.34
DAGLA Q9Y4D2 2/20 0.34
ACE2 Q9BYF1 1/20 0.33
S1PR5 Q9H228 2/20 0.33
TP53 P04637 1/20 0.33
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
FAAH O00519 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 1/20 0.32
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32

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
SCHEMBL27625979 0.97 ACE2 (0.36) EPHX2CTSKCNR1DAGLAACE2
SCHEMBL27626107 0.93 EPHX2 (0.39) EPHX2CTSKCNR1DAGLAS1PR5
SCHEMBL5364963 0.93 EPHX2 (0.39) EPHX2CTSKCNR1DAGLAS1PR5
SCHEMBL27646713 0.89 EPHX2 (0.38) EPHX2S1PR5
SCHEMBL9876145 0.88 CTSK (0.40) EPHX2CTSKS1PR5TP53
SCHEMBL5375229 0.87 EPHX2 (0.46) EPHX2CTSKCNR1DAGLAACE2
SCHEMBL9107859 0.85 EPHX2 (0.47) EPHX2CTSKCNR1DAGLAS1PR5
SCHEMBL27646678 0.84 EPHX2 (0.43) EPHX2CTSKCNR1DAGLAACE2
SCHEMBL27646381 0.82 TSHR (0.35) ACE2S1PR5TP53GPR84FFAR1
SCHEMBL27646420 0.82 TSHR (0.35) ACE2S1PR5TP53GPR84FFAR1

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
US-7208545-B1 Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-04-24 US claimed