SCHEMBL22816992

SCHEMBL22816992

Cc1ccc2c(CO)ccc(N3CCCCC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 4/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
AVPR1A P37288 1/20 0.39
LMNA P02545 1/20 0.38
NCF1 P14598 1/20 0.38
PAX8 Q06710 2/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.37
ALDH1A3 P47895 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.36
APP P05067 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 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
SCHEMBL23484647 0.81 AR (0.51) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL28091070 0.72 NCF1 (0.46) MAPTTP53ALDH1A1LMNANCF1
SCHEMBL15871966 0.71 MAPT (0.49) MAPTTP53ALDH1A1MCOLN3KMT2A
SCHEMBL13326993 0.71 MEN1 (0.47) MAPTTP53ALDH1A1MCOLN3KMT2A
SCHEMBL27536083 0.71 ALDH1A1 (0.47) MAPTTP53ALDH1A1MCOLN3KMT2A
SCHEMBL15831876 0.70 NCF1 (0.46) MAPTTP53ALDH1A1MCOLN3KMT2A
SCHEMBL15831848 0.70 NCF1 (0.46) MAPTTP53ALDH1A1MCOLN3KMT2A
SCHEMBL16793166 0.70 NCF1 (0.46) MAPTTP53ALDH1A1MCOLN3KMT2A
SCHEMBL4885809 0.70 MAPT (0.68) MAPTTP53ALDH1A1MCOLN3KMT2A
SCHEMBL19203563 0.69 ALDH1A1 (0.46) MAPTTP53ALDH1A1MCOLN3KMT2A

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-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed