SCHEMBL8779428

SCHEMBL8779428

C[C@H](N)C(=O)NC(=O)Oc1nccc(OCC2CCCCC2)c1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.43
ACACB O00763 3/20 0.39
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PARP15 Q460N3 2/20 0.36
PARP10 Q53GL7 2/20 0.36
SRC P12931 3/20 0.35
YES1 P07947 1/20 0.35
LMNA P02545 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL8779229 0.90 IRAK4 (0.40) IRAK4ACACB
SCHEMBL8779243 0.90 PPARG (0.38) IRAK4ACACBLMNANFE2L2
SCHEMBL8779191 0.89 IRAK4 (0.38) IRAK4ACACBPARP15PARP10
SCHEMBL8779259 0.87 IRAK4 (0.37) IRAK4ACACBLMNA
SCHEMBL8779175 0.85 ACACB (0.41) IRAK4ACACBPDE4APDE4BPDE4C
SCHEMBL8779225 0.84 PARP15 (0.40) IRAK4ACACBPARP15PARP10
SCHEMBL8881605 0.83 IRAK4 (0.44) IRAK4ACACBPDE4APDE4BPDE4C
SCHEMBL8779212 0.82 HPGD (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8779176 0.82 HPGD (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8779418 0.82 PPARG (0.36) IRAK4ACACBLMNA

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-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed