SCHEMBL29318231

SCHEMBL29318231

COc1cccc(C(C)(C)C(=O)OCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PABPC1 P11940 1/20 0.36
LMNA P02545 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 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
SCHEMBL898275 0.78 POLB (0.41) ALDH1A1MAPK1TDP1POLBRAB9A
SCHEMBL800895 0.75 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1SLC6A2SLC6A3
SCHEMBL24773112 0.73 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL27403227 0.72 MAOB (0.50) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL24773107 0.72 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL22043164 0.72 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL522510 0.71 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL991531 0.71 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL24783659 0.71 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL24773106 0.71 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPK1L3MBTL1

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-2024148104-A1 COMBINATION THERAPY OF APELIN RECEPTOR AGONIST AND GLP-1 RECEPTOR AGONIST FOR TREATING A DISEASE OR CONDITION ASSOCIATED WITH WEIGHT GAIN BioAge Labs, Inc. (US) 2024-07-11 WO disclosed