SCHEMBL29956483

SCHEMBL29956483

CNC(=O)c1ccc(OC2CC2)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
PDE4D Q08499 11/20 0.43
PDE4A P27815 10/20 0.43
PDE4B Q07343 10/20 0.43
PDE4C Q08493 10/20 0.43
RORC P51449 1/20 0.40
PDE5A O76074 1/20 0.40

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
SCHEMBL29953007 0.89 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL29951310 0.82 PDE4A (0.50) PDE4DPDE4APDE4BPDE4C
SCHEMBL29953167 0.81 PDE4B (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL19175513 0.80 KAT2B (0.45) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL29951339 0.77 RORC (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL29956100 0.76 KAT2B (0.50) KAT2BBAZ2BRORCPDE5A
SCHEMBL29953356 0.76 KAT2B (0.50) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL19175683 0.76 ALDH1A1 (0.54) PDE5A
SCHEMBL29951399 0.76 POLB (0.39) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL24070571 0.75 PLK1 (0.50)

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