SCHEMBL29950835

SCHEMBL29950835

O=Cc1nc(C(=O)O)ccc1OC1CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 9/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
RORC P51449 1/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
MGAM O43451 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
SCHEMBL29957162 0.88 PDE4A (0.44) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL29951510 0.83 KAT2B (0.42) PDE4APDE4BPDE4CPDE4DRORC
SCHEMBL29952374 0.76 MCHR1 (0.44) KMORORC
SCHEMBL29950889 0.73 KMO (0.39) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL29953999 0.73 CSNK2A1 (0.36)
SCHEMBL29956096 0.73 POLB (0.35) PDE4DRORC
SCHEMBL29951053 0.72 KMO (0.41) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL29955753 0.71 SCD (0.42) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL29957502 0.70 KMO (0.45) KMOKDM4EL3MBTL1TDP1PDE4A
SCHEMBL29958512 0.70 HCAR3 (0.40) KMOPDE4APDE4BPDE4CPDE4D

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