SCHEMBL30453341

SCHEMBL30453341

CC(C)(C)c1ccc(COc2cc(-c3ccc(C(=O)O)cc3)cnc2N)cc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.75
MET P08581 2/20 0.61
XDH P47989 2/20 0.58
RXRA P19793 3/20 0.57
RXRB P28702 3/20 0.57
NR4A2 P43354 2/20 0.57
RXRG P48443 2/20 0.57
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL488616 1.00 MAP4K4 (0.75) MAP4K4METXDHRXRARXRB
SCHEMBL30452762 0.87 MET (0.56) MAP4K4METXDHNR4A2NR4A1
SCHEMBL488223 0.87 MET (0.56) MAP4K4METXDHNR4A2NR4A1
SCHEMBL10214993 0.86 MAP4K4 (1.00) MAP4K4METXDHRXRARXRB
SCHEMBL30454669 0.83 MET (0.65) MAP4K4METRAB9A
SCHEMBL488365 0.83 MET (0.65) MAP4K4METRAB9A
SCHEMBL30453882 0.83 MET (0.65) MAP4K4METXDH
SCHEMBL487799 0.83 MET (0.65) MAP4K4METXDH
SCHEMBL27650357 0.82 MET (0.51) MAP4K4METXDHRAB9AL3MBTL1
SCHEMBL28121929 0.82 MAP4K4 (0.55) MAP4K4METXDHRXRARXRB

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed