SCHEMBL30786332

SCHEMBL30786332

CC(C)CC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.60
KDM4E B2RXH2 3/20 0.59
LMNA P02545 2/20 0.59
TP53 P04637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
FLT3 P36888 1/20 0.59
HPGD P15428 2/20 0.57
MAPT P10636 1/20 0.57
DAO P14920 1/20 0.57
SRD5A2 P31213 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GAA P10253 3/20 0.57
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
DRD2 P14416 2/20 0.52
MAOB P27338 1/20 0.52
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51

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
SCHEMBL30148164 0.81 IDO1 (0.66) IDO1KDM4ELMNATP53L3MBTL1
SCHEMBL2730199 0.81 IDO1 (0.66) IDO1KDM4ELMNATP53L3MBTL1
SCHEMBL7844858 0.81 IDO1 (0.66) IDO1KDM4ELMNATP53L3MBTL1
SCHEMBL30148093 0.81 IDO1 (0.66) IDO1KDM4ELMNATP53L3MBTL1
SCHEMBL24197050 0.80 KDM4E (0.60) IDO1KDM4ELMNAFLT3HPGD
SCHEMBL595269 0.80 IDO1 (0.56) IDO1KDM4ELMNATP53L3MBTL1
SCHEMBL18792640 0.80 HRH4 (0.51) IDO1KDM4ELMNAFLT3HPGD
SCHEMBL30270496 0.80 KDM4E (0.60) IDO1KDM4ELMNAFLT3HPGD
SCHEMBL25266581 0.80 IDO1 (0.52) IDO1KDM4ELMNATP53L3MBTL1
SCHEMBL6923977 0.80 IDO1 (0.68) IDO1KDM4ELMNATP53L3MBTL1

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-115557960-B Isopentenyl indole alkaloid compound and preparation method and application thereof 云南中烟工业有限责任公司 2024-03-08 CN disclosed