SCHEMBL30701009

SCHEMBL30701009

CN(C)CCC(=O)c1cc2ccccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 6/20 0.56
HPGD P15428 4/20 0.56
FLT3 P36888 1/20 0.56
MAPT P10636 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.52
HTT P42858 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
TSHR P16473 1/20 0.50
ACKR3 P25106 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL8703930 1.00 MAPK1 (0.60) MAPK1HSD17B10ALDH1A1HPGDFLT3
Hydrochloric Acid SCHEMBL10779412 0.98 HSD17B10 (0.62) MAPK1HSD17B10ALDH1A1HPGDFLT3
SCHEMBL2327568 0.83 LMNA (0.66) MAPK1ALDH1A1HPGDFLT3MAPT
SCHEMBL10155752 0.80 FLT3 (0.67) MAPK1ALDH1A1HPGDFLT3MAPT
SCHEMBL11343143 0.80 HDAC3 (0.60) MAPK1ALDH1A1HPGDFLT3MAPT
SCHEMBL6618529 0.80 FLT3 (0.61) MAPK1HSD17B10ALDH1A1HPGDFLT3
SCHEMBL8910943 0.80 FLT3 (0.61) MAPK1HSD17B10ALDH1A1HPGDFLT3
SCHEMBL5163569 0.79 ALDH1A1 (0.56) MAPK1HSD17B10ALDH1A1HPGDFLT3
SCHEMBL8703114 0.78 FLT3 (0.59) MAPK1ALDH1A1HPGDFLT3MAPT
SCHEMBL9046068 0.78 HDAC3 (0.58) ALDH1A1FLT3MAPTL3MBTL1KDM4E

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-109069514-B Antibacterial compound and application thereof 结核病药物开发全球联盟公司 2023-12-29 CN disclosed