SCHEMBL9348010

SCHEMBL9348010

CC(=O)ON(C(C)=O)C(C)C#Cc1cccc(OC2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.42
ACACA Q13085 2/20 0.42
ALOX5 P09917 2/20 0.42
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HIF1A Q16665 1/20 0.37
MTNR1A P48039 1/20 0.36
KAT6A Q92794 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
FFAR1 O14842 1/20 0.34

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
SCHEMBL9348080 0.87 ALOX5 (0.53) ACACBACACAALOX5PTGS1PTGS2
SCHEMBL9347565 0.81 ALOX5 (0.65) ALOX5
SCHEMBL9348140 0.81 ACACB (0.39) ACACBACACAALOX5PTGS1PTGS2
SCHEMBL9351538 0.80 ALOX5 (0.64) ACACBACACAALOX5PTGS1PTGS2
SCHEMBL9450774 0.75 ALOX5 (0.45) ACACBACACAALOX5PTGS1PTGS2
SCHEMBL9348018 0.66 ALOX5 (0.81) ACACBACACAALOX5PTGS1PTGS2
SCHEMBL6063354 0.65 CYP3A4 (0.53) ACACBPTGS1PTGS2MTNR1AKAT6A
SCHEMBL5799392 0.65 KAT6A (0.54) KAT6AOPRM1OPRK1KCNH2
SCHEMBL11663045 0.65 SLC6A4 (0.47) MTNR1AKAT6AOPRM1OPRK1KCNH2
SCHEMBL6496199 0.64 SLC6A2 (0.66) KAT6A

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
EP-0561882-B1 HYDROXAMIC ACID DERIVATIVES WHICH INHIBIT LIPOXYGENASE PFIZER (US) 1994-08-31 EP disclosed