SCHEMBL9178583

SCHEMBL9178583

CSc1ccc(Oc2cccc(C#CC(C)NC(N)=O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.52
ACACB O00763 12/20 0.49
ACACA Q13085 6/20 0.45
HAO1 Q9UJM8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1B P49286 1/20 0.38
PTGES O14684 1/20 0.38
PTGS1 P23219 1/20 0.37

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
SCHEMBL8203531 0.86 ALOX5 (0.67) ALOX5ACACBACACAHAO1SMN1; SMN2
SCHEMBL9049055 0.81 ALOX5 (0.79) ALOX5ACACBACACA
SCHEMBL9422278 0.74 ALOX5 (0.56) ALOX5ACACBACACAHAO1SMN1; SMN2
SCHEMBL5942804 0.73 ACACB (0.78) ACACBACACA
SCHEMBL9051127 0.72 ALOX5 (0.45) ALOX5HAO1
SCHEMBL5942969 0.72 ACACB (0.70) ALOX5ACACBACACAMTNR1BPTGS1
SCHEMBL5943325 0.71 ACACB (0.62) ACACBACACASMN1; SMN2
SCHEMBL8198208 0.70 ALOX5 (0.61) ALOX5ACACBACACAHAO1MTNR1B
SCHEMBL920824 0.70 PDE4A (0.46) SMN1; SMN2
SCHEMBL9176290 0.69 ALOX5 (0.49) ALOX5ACACBACACAHAO1

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
EP-0652864-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-17 EP claimed
WO-1994002448-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-03 WO claimed