SCHEMBL9348018

SCHEMBL9348018

CC(=O)N(O)C(C)C#Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.81
ACACB O00763 3/20 0.47
ACACA Q13085 3/20 0.47
HAO1 Q9UJM8 1/20 0.46
PTGS1 P23219 2/20 0.46
EPHX2 P34913 2/20 0.44
ALOX5AP P20292 1/20 0.43
PTGS2 P35354 1/20 0.43
PTGES O14684 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL13140097 0.90 ALOX5 (0.83) ALOX5ACACBACACAHAO1EPHX2
SCHEMBL9046388 0.90 ALOX5 (1.00) ALOX5ACACBACACAEPHX2
SCHEMBL9175836 0.89 ALOX5 (0.69) ALOX5ACACBACACAHAO1EPHX2
SCHEMBL9351538 0.85 ALOX5 (0.64) ALOX5ACACBACACAHAO1PTGS1
SCHEMBL9047251 0.82 ALOX5 (0.84) ALOX5ACACBACACAEPHX2MEN1
SCHEMBL9048463 0.82 ALOX5 (0.84) ALOX5ACACBACACAEPHX2MEN1
SCHEMBL9047950 0.81 ALOX5 (0.83) ALOX5ACACBACACAEPHX2MEN1
Fenleuton SCHEMBL31539081 0.81 ALOX5 (1.00) ALOX5ACACBACACAEPHX2MEN1
Fenleuton SCHEMBL74861 0.81 ALOX5 (1.00) ALOX5ACACBACACAEPHX2MEN1
SCHEMBL9046519 0.81 ALOX5 (0.83) ALOX5ACACBACACAEPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6256285-A None JP disclosed
JP-H06256285-A HYDROXAMIC ACID DERIVATIVE AND ITS USE PFIZER PHARMACEUT CO LTD 1994-09-13 JP disclosed
EP-0561882-B1 HYDROXAMIC ACID DERIVATIVES WHICH INHIBIT LIPOXYGENASE PFIZER (US) 1994-08-31 EP disclosed