SCHEMBL8779243

SCHEMBL8779243

C[C@H](N)C(=O)NC(=O)Oc1nccc(OCCC2CCCCC2)c1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.38
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
LNPEP Q9UIQ6 6/20 0.36
MCHR1 Q99705 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 2/20 0.34
LMNA P02545 1/20 0.34
NFE2L2 Q16236 1/20 0.34
IDO1 P14902 2/20 0.34
ACACB O00763 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL8779418 0.92 PPARG (0.36) PPARGKITPDGFRALNPEPMCHR1
SCHEMBL8779239 0.91 LNPEP (0.40) PPARGKITPDGFRALNPEP
SCHEMBL8779428 0.90 IRAK4 (0.43) LMNANFE2L2ACACBIRAK4
SCHEMBL8779390 0.85 NFE2L2 (0.38) PPARGKITPDGFRALNPEPMCHR1
SCHEMBL8881924 0.84 LNPEP (0.38) PPARGKITPDGFRALNPEPMCHR1
SCHEMBL8779175 0.84 ACACB (0.41) LNPEPACACBIRAK4
SCHEMBL8779325 0.83 IKBKB (0.37) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8779136 0.83 IKBKB (0.37) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8779103 0.82 PPARG (0.38) PPARGMCHR1NPC1SCN9ANFE2L2
SCHEMBL8779157 0.82 XIAP (0.40) NPC1SMN1; SMN2LMNAACACB

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