SCHEMBL29957162

SCHEMBL29957162

NC(=O)c1ccc(OC2CC2)c(C=O)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
PARP10 Q53GL7 1/20 0.40
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
SCD O00767 1/20 0.37
MAP4K4 O95819 1/20 0.35
KMO O15229 3/20 0.34
MAP3K5 Q99683 1/20 0.34
RORC P51449 1/20 0.34
ACACB O00763 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL29950835 0.88 KMO (0.42) PDE4APDE4BPDE4CPDE4DKMO
SCHEMBL29951510 0.83 KAT2B (0.42) PDE4APDE4BPDE4CPDE4DRORC
SCHEMBL29952374 0.80 MCHR1 (0.44) SCDKMORORCMCHR1
SCHEMBL29953999 0.76 CSNK2A1 (0.36) SCDMCHR1
SCHEMBL29954305 0.75 PARP10 (0.39) PDE4APDE4BPDE4CPDE4DPARP10
SCHEMBL29952825 0.74 MKNK1 (0.38) PDE4APDE4BPDE4CPDE4DPARP10
SCHEMBL29956096 0.73 POLB (0.35) PDE4DSCDRORCACACBMCHR1
SCHEMBL29955972 0.72 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPARP10
SCHEMBL29953293 0.71 MAP4K4 (0.42) PDE4APDE4BPDE4CPDE4DPARP10
SCHEMBL29956632 0.70 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DPARP10

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed