SCHEMBL8966035

SCHEMBL8966035

CC(=O)N(O)[C@@H](C)C#Cc1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.57
EPHX2 P34913 15/20 0.49

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 0.81 ALOX5 (0.83) ALOX5EPHX2
SCHEMBL8965207 0.79 ACACB (0.48) ALOX5EPHX2
SCHEMBL1488946 0.77 ALOX5 (0.49) ALOX5EPHX2
SCHEMBL1489321 0.77 ALOX5 (0.49) ALOX5EPHX2
SCHEMBL8965264 0.76 ALOX5 (0.39) ALOX5EPHX2
SCHEMBL9348018 0.73 ALOX5 (0.81) ALOX5EPHX2
Fenleuton SCHEMBL31539081 0.72 ALOX5 (1.00) ALOX5EPHX2
Fenleuton SCHEMBL74861 0.72 ALOX5 (1.00) ALOX5EPHX2
SCHEMBL8965183 0.71 ALOX5 (0.56) ALOX5
SCHEMBL8966842 0.71 ALOX5 (0.56) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696271-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-14 EP claimed
WO-1994025430-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-10 WO claimed
EP-0696271-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025430-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-10 WO disclosed