SCHEMBL28315342

SCHEMBL28315342

O=C(CC1CCC(C(=O)O)N1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
CES1 P23141 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
GSK3B P49841 2/20 0.39
TRPA1 O75762 1/20 0.39
HIF1A Q16665 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL14208954 0.81 MAPT (0.51) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL14178966 0.81 MAPT (0.51) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL3683716 0.81 MAPT (0.51) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL8980360 0.81 MAPT (0.44) MAPTALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL17799770 0.77 POLB (0.45) MAPTKDM4EHIF1ADPP4TSHR
SCHEMBL9544845 0.77 POLB (0.45) MAPTKDM4EHIF1ADPP4TSHR
SCHEMBL17799771 0.77 POLB (0.45) MAPTKDM4EHIF1ADPP4TSHR
Hydrochloric Acid SCHEMBL17505902 0.76 CHRNA7 (0.46) ALDH1A1MAPK1KMT2AMEN1TDP1
Hydrochloric Acid SCHEMBL17505964 0.76 CHRNA7 (0.46) ALDH1A1MAPK1KMT2AMEN1TDP1
SCHEMBL252506 0.75 ALDH1A1 (0.51) MAPTALDH1A1L3MBTL1MAPK1KMT2A

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-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed