SCHEMBL29950889

SCHEMBL29950889

O=Cc1ccc(OC2CC2)c(C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMO O15229 9/20 0.39
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
CCR1 P32246 1/20 0.34
RORC P51449 1/20 0.34
HRH1 P35367 2/20 0.33
POLB P06746 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
SCHEMBL29954305 0.87 PARP10 (0.39) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL29954935 0.83 KAT2B (0.42) PDE4APDE4BPDE4CPDE4DRORC
SCHEMBL29953789 0.76 CCR1 (0.37) KMOCCR1RORCPOLB
SCHEMBL29957224 0.73 POLB (0.35) CCR1RORCPOLB
SCHEMBL29950835 0.73 KMO (0.42) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL29951810 0.73 CSNK2A1 (0.36) CCR1POLB
SCHEMBL29958426 0.72 KMO (0.41) KMOPOLB
SCHEMBL27963910 0.71 RECQL (0.39) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL25230627 0.70 KMO (0.39) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL29957290 0.69 POLB (0.36) KMOPOLB

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