SCHEMBL29953376

SCHEMBL29953376

Nc1ccc(OC2CC2)c(C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
PDE4B Q07343 9/20 0.35
PDE4A P27815 4/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
RORC P51449 1/20 0.34
CSNK2A1 P68400 2/20 0.33
PARP10 Q53GL7 1/20 0.33
MAP4K4 O95819 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 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
SCHEMBL29952250 0.86 POLB (0.40) POLBRORCCSNK2A1PARP10MAP4K4
SCHEMBL29955920 0.79 CSNK2A1 (0.54) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL29953167 0.78 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPARP10
SCHEMBL29955933 0.76 PARP10 (0.40) POLBPARP10MAP4K4ALDH1A1
SCHEMBL29951339 0.76 RORC (0.43) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL29951310 0.76 PDE4A (0.50) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL18003630 0.75 POLB (0.49) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL14784352 0.75 ERN1 (0.44) POLBPDE4BCSNK2A1TDP1
SCHEMBL5883440 0.74 ALDH1A1 (0.55) KDM4EALDH1A1TSHRTDP1MAPT
SCHEMBL21643943 0.74 ALDH1A1 (0.53) POLBALDH1A1TSHRTDP1

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