SCHEMBL27308985

SCHEMBL27308985

CCc1ccc(COCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
IDO1 P14902 1/20 0.48
PPARA Q07869 2/20 0.46
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.44
SYK P43405 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
CTSS P25774 1/20 0.41
NQO2 P16083 1/20 0.41

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
SCHEMBL6209519 0.89 TDP1 (0.49) MAPTIDO1PPARACA1CA2
SCHEMBL31307121 0.89 IDO1 (0.48) IDO1PPARACA1CA2CA12
SCHEMBL31307122 0.87 IDO1 (0.47) IDO1PPARACA1CA2CA12
SCHEMBL27306067 0.87 IDO1 (0.47) IDO1PPARACA1CA2CA12
SCHEMBL25301986 0.87 IDO1 (0.47) L3MBTL1IDO1PPARACA1CA2
SCHEMBL24812942 0.87 IDO1 (0.47) L3MBTL1IDO1PPARACA1CA2
SCHEMBL506649 0.87 IDO1 (0.62) MAPTL3MBTL1IDO1PPARACA1
SCHEMBL13185216 0.84 CA12 (0.57) MAPTL3MBTL1IDO1CA1CA2
SCHEMBL17974332 0.83 CA12 (0.66) MAPTL3MBTL1IDO1CA1CA2
SCHEMBL31307120 0.83 IDO1 (0.44) MAPTIDO1PPARACA1CA2

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-2024077244-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS HOTSPOT THERAPEUTICS, INC. (US) 2024-04-11 WO disclosed