SCHEMBL29951840

SCHEMBL29951840

Nc1cc(OC2CC2)c(C=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TRPC6 Q9Y210 4/20 0.37
FEN1 P39748 3/20 0.34
MCHR1 Q99705 3/20 0.32
ALOX5AP P20292 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
RIPK2 O43353 1/20 0.31
MAP4K3 Q8IVH8 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
RORC P51449 1/20 0.30
NOS3 P29474 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
SCHEMBL29954499 0.87 POLB (0.42) POLBTRPC6FEN1MCHR1ALOX5AP
SCHEMBL29956019 0.80 POLB (0.42) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL29955972 0.80 PDE4A (0.46) POLBTRPC6MKNK1MKNK2PDE4A
SCHEMBL29955501 0.78 POLB (0.43) POLB
SCHEMBL29957502 0.78 KMO (0.45) POLBKDM4EPDE4APDE4BPDE4C
SCHEMBL29956041 0.75 POLB (0.40) POLBKDM4EALDH1A1PDE4APDE4B
SCHEMBL21045685 0.75 IKBKB (0.38) POLBTRPC6FEN1MCHR1ALOX5AP
SCHEMBL29952250 0.73 POLB (0.40) POLBMCHR1KDM4EALDH1A1RORC
SCHEMBL29950803 0.72 POLB (0.37) POLBTRPC6FEN1MCHR1MKNK1
SCHEMBL22834682 0.72 TRPC6 (0.40) POLBTRPC6FEN1MCHR1ALOX5AP

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