SCHEMBL24928649

SCHEMBL24928649

O=C(O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-c3ccns3)ccc2OC2CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 7/20 0.41
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.36
FABP5 Q01469 2/20 0.36
POLB P06746 1/20 0.36
ERAP1 Q9NZ08 4/20 0.36
ERAP2 Q6P179 2/20 0.36

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
SCHEMBL30153363 1.00 ACLY (0.41) ACLYPDE4APDE4BPDE4CPDE4D
SCHEMBL30845556 0.93 ACLY (0.38) ACLYPDE4APDE4BPDE4CPDE4D
SCHEMBL30153223 0.93 ACLY (0.38) ACLYPDE4APDE4BPDE4CPDE4D
SCHEMBL31198407 0.86 ACLY (0.45) ACLYTDP1FABP4FABP5ERAP1
SCHEMBL31198454 0.86 ACLY (0.37) ACLYPDE4APDE4BPDE4CPDE4D
SCHEMBL24928654 0.86 ACLY (0.37) ACLYPDE4APDE4BPDE4CPDE4D
SCHEMBL24928646 0.86 ACLY (0.45) ACLYTDP1FABP4FABP5ERAP1
SCHEMBL24928715 0.84 ACLY (0.37) ACLYTDP1FABP4
SCHEMBL30153301 0.84 ACLY (0.37) ACLYTDP1FABP4
SCHEMBL24928681 0.84 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D

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
WO-2023007188-A1 PHENYL-SULFAMOYL-BENZOIC ACID DERIVATIVES AS ERAP1- MODULATORS Grey Wolf Therapeutics Limited (GB) 2023-02-02 WO disclosed