SCHEMBL9348140

SCHEMBL9348140

CC(C#Cc1cccc(OC2CCCCC2)c1)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.39
ACACA Q13085 2/20 0.39
ALOX5 P09917 2/20 0.38
MTNR1A P48039 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HIF1A Q16665 1/20 0.34
KAT6A Q92794 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL9348010 0.81 ACACB (0.42) ACACBACACAALOX5MTNR1APTGS1
SCHEMBL9348080 0.78 ALOX5 (0.53) ACACBACACAALOX5MTNR1APTGS1
SCHEMBL9347565 0.76 ALOX5 (0.65) ALOX5
SCHEMBL9351423 0.75 ALOX5 (0.44) ACACBACACAALOX5
SCHEMBL9450774 0.73 ALOX5 (0.45) ACACBACACAALOX5MTNR1APTGS1
SCHEMBL9351417 0.69 ALOX5 (0.36) ACACBACACAALOX5
SCHEMBL8707586 0.69 ACACB (0.33) ACACB
SCHEMBL8707088 0.69 BCL2A1 (0.34) ACACB
SCHEMBL8707083 0.69 BCL2A1 (0.34) ACACB
SCHEMBL8707360 0.69 EPHX2 (0.34) ACACB

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