SCHEMBL29955165

SCHEMBL29955165

O=Cc1cc(OC2CC2)c(C(=O)O)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 6/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
POLB P06746 1/20 0.34
GRIK1 P39086 4/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
ADRB2 P07550 1/20 0.33
GRIA2 P42262 2/20 0.33
DHODH Q02127 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
SCHEMBL29957290 0.88 POLB (0.36) KMOMKNK1MKNK2POLBGRIK1
SCHEMBL29951714 0.88 MKNK1 (0.44) MKNK1MKNK2PDE4APDE4BPDE4C
SCHEMBL29955295 0.83 KAT2B (0.44) MKNK1MKNK2PDE4APDE4BPDE4C
SCHEMBL29957106 0.81 MKNK1 (0.43) MKNK1MKNK2PDE4APDE4BPDE4C
SCHEMBL25240993 0.79 PDE4A (0.38) KMOMKNK1MKNK2PDE4APDE4B
SCHEMBL25232405 0.79 GABRP (0.39) KMOMKNK1MKNK2PDE4APDE4B
SCHEMBL29951667 0.77 POLB (0.36) MKNK1MKNK2PDE4APDE4BPDE4C
SCHEMBL29950803 0.75 POLB (0.37) MKNK1MKNK2PDE4APDE4BPDE4C
SCHEMBL29955487 0.75 KAT2B (0.44) POLB
SCHEMBL29957238 0.73 POLB (0.36) POLB

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