SCHEMBL28540489

SCHEMBL28540489

CC(C)(C#Cc1ccccc1)OC(=O)OC(C)(C)C#Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
FFAR1 O14842 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APP P05067 1/20 0.39
VCP P55072 1/20 0.39
HNF4A P41235 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MTOR P42345 1/20 0.37
PAM P19021 1/20 0.37
HAO1 Q9UJM8 3/20 0.37
POLB P06746 1/20 0.36
NLRP3 Q96P20 1/20 0.36
CYP2C19 P33261 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
SCHEMBL31454048 0.89 MAPT (0.47) MAPTNPSR1FFAR1NPC1RAB9A
SCHEMBL38664095 0.87 MAPT (0.42) MAPTNPSR1FFAR1NPC1RAB9A
SCHEMBL28977971 0.85 ALDH1A1 (0.47) MAPTNPSR1FFAR1NPC1RAB9A
SCHEMBL28977961 0.84 CA12 (0.41) MAPTFFAR1RAB9AMEN1KMT2A
SCHEMBL26939701 0.83 ELANE (0.42) MAPTNPSR1FFAR1NPC1RAB9A
SCHEMBL28546563 0.82 ACACB (0.40) MAPTNPSR1NPC1RAB9AMEN1
SCHEMBL23183062 0.82 MAPT (0.42) MAPTNPSR1FFAR1APPVCP
SCHEMBL28541057 0.82 FFAR1 (0.47) FFAR1HAO1
SCHEMBL26939288 0.82 MAPT (0.42) MAPTNPSR1FFAR1NPC1RAB9A
SCHEMBL13896340 0.80 MAPT (0.41) MAPTNPSR1FFAR1NPC1RAB9A

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-109678854-B Method for synthesizing pyrido [1,2-a ] indole-6 (1H) -ketone compound by manganese catalysis 陕西师范大学 2021-04-09 CN disclosed