SCHEMBL27376604

SCHEMBL27376604

CC(C)(C)OC(=O)NCCCCCCCOc1cc(Br)cc2[nH]ncc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 6/20 0.43
FPR3 P25089 3/20 0.42
FPR2 P25090 3/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ATR Q13535 3/20 0.41
ATRIP Q8WXE1 3/20 0.41
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
SCN9A Q15858 1/20 0.38
CYP3A4 P08684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL30797862 0.94 IDO1 (0.42) CA12CA1CA2CA9FPR3
SCHEMBL15805959 0.75 CA1 (0.49) CA12CA1CA2CA9FPR3
SCHEMBL28445733 0.75 CA12 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL25840614 0.74 CA12 (0.54) CA12CA1CA2CA9FPR3
SCHEMBL2530975 0.74 CA12 (0.58) CA12CA1CA2CA9FPR3
SCHEMBL20170936 0.72 CA12 (0.47) CA12CA1CA2CA9FPR3
SCHEMBL21591560 0.72 TDP1 (0.41) CA12CA1CA2CA9FPR3
SCHEMBL12514970 0.72 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL30951481 0.72 CA1 (0.53) CA12CA1CA2CA9FPR3
SCHEMBL28460294 0.72 CA12 (0.42) CA12CA1CA2CA9TDP1

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-2024052701-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 WO disclosed