SCHEMBL29951053

SCHEMBL29951053

O=Cc1nccc(OC2CC2)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.41
SCD O00767 1/20 0.39
POLB P06746 1/20 0.36
IDO1 P14902 1/20 0.36
AR P10275 7/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HRH1 P35367 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL29952825 0.87 MKNK1 (0.38) KMOSCDPOLBIDO1AR
SCHEMBL29956219 0.85 KAT2B (0.42) SCDIDO1AR
SCHEMBL25244490 0.79 KMO (0.42) KMOIDO1AR
SCHEMBL29957854 0.77 SCD (0.36) KMOSCDPOLBIDO1AR
SCHEMBL29951753 0.77 KMO (0.37) KMOSCDPOLB
SCHEMBL29958426 0.77 KMO (0.41) KMOPOLBIDO1AR
SCHEMBL29951407 0.77 POLB (0.36) KMOSCDPOLBIDO1AR
SCHEMBL29955753 0.76 SCD (0.42) KMOSCDPOLBPDE4APDE4B
SCHEMBL29954270 0.73 LOX (0.38) KMOSCDPOLBIDO1AR
SCHEMBL29951973 0.73 CA12 (0.43) POLBPDE4APDE4BPDE4CPDE4D

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