SCHEMBL29956096

SCHEMBL29956096

CNc1ccc(OC2CC2)c(C=O)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
RORC P51449 1/20 0.34
MCHR1 Q99705 2/20 0.32
NCF1 P14598 1/20 0.32
KAT2B Q92831 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
PDE4D Q08499 1/20 0.31
SCD O00767 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ACACB O00763 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RRM2 P31350 1/20 0.30

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
SCHEMBL29951510 0.77 KAT2B (0.42) RORCKAT2BBAZ2BPDE4D
SCHEMBL29952374 0.76 MCHR1 (0.44) POLBRORCMCHR1SCD
SCHEMBL29957162 0.73 PDE4A (0.44) RORCMCHR1PDE4DSCDACACB
SCHEMBL29950835 0.73 KMO (0.42) RORCPDE4D
SCHEMBL29957224 0.73 POLB (0.35) POLBRORCMCHR1KAT2BBAZ2B
SCHEMBL29953999 0.73 CSNK2A1 (0.36) POLBMCHR1SCD
SCHEMBL29951407 0.72 POLB (0.36) POLBRORCKAT2BBAZ2BSCD
SCHEMBL29955501 0.70 POLB (0.43) POLB
SCHEMBL29955617 0.69 POLB (0.39) POLBRORCKAT2BBAZ2BSCD
SCHEMBL29955753 0.68 SCD (0.42) POLBMCHR1PDE4DSCD

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