SCHEMBL26937402

SCHEMBL26937402

CC1(C)CC(=O)CC(C)(I)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ELANE P08246 4/20 0.44
CTSG P08311 2/20 0.39
PRTN3 P24158 1/20 0.39
CYP11B2 P19099 1/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
AMPD2 Q01433 3/20 0.38
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MGLL Q99685 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 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
SCHEMBL10813336 0.89 ELANE (0.50) GAAELANECTSGPRTN3CYP11B2
SCHEMBL3144024 0.73 AMPD2 (0.40) ELANEAMPD2ALDH1A1MEN1KMT2A
SCHEMBL21244555 0.72 GAA (0.47) GAAELANECTSGPRTN3CYP11B2
SCHEMBL19557693 0.72 GAA (0.44) GAAELANECTSGPRTN3CYP11B2
SCHEMBL11814837 0.71 GAA (0.44) GAAELANEAMPD2MEN1KMT2A
SCHEMBL3061605 0.70 GAA (0.45) GAAELANECTSGPRTN3CYP11B2
SCHEMBL9242285 0.68 ALDH1A1 (0.54) GAAELANEALDH1A1MEN1KMT2A
SCHEMBL2404188 0.67 GAA (0.44) GAAELANECTSGPRTN3F2
SCHEMBL11694722 0.67 GAA (0.45) GAAELANECTSGPRTN3F2
SCHEMBL27965553 0.67 MEN1 (0.39) GAAELANEAMPD2ALDH1A1MEN1

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
EP-4290637-A1 METAL M-AIR BATTERY CELL COMPRISING AN ORGANIC MULTI REDOX MEDIATOR COMPOUND AS SOLUBLE ORGANIC CATALYST TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2023-12-13 EP disclosed