SCHEMBL24650424

SCHEMBL24650424

CCOc1ccc2c(c1)CC(N)C2OCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.47
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
PPARA Q07869 3/20 0.38
HTR2A P28223 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL24651042 0.93 PPARD (0.47) PPARDCHRNB2CHRNA4FFAR1FFAR4
SCHEMBL24650426 0.91 PPARD (0.42) PPARDFFAR1FFAR4L3MBTL1MAPT
SCHEMBL24650433 0.90 PPARD (0.41) PPARDCHRNB2CHRNA4L3MBTL1MAPT
SCHEMBL24650422 0.89 PPARD (0.42) PPARDCHRNB2CHRNA4FFAR1FFAR4
SCHEMBL24650316 0.89 BRD4 (0.42) PPARDCHRNB2CHRNA4FFAR1L3MBTL1
SCHEMBL24651046 0.85 PPARD (0.42) PPARDCHRNB2CHRNA4FFAR1FFAR4
SCHEMBL24651040 0.84 FFAR4 (0.45) PPARDFFAR1FFAR4L3MBTL1MAPT
SCHEMBL24650543 0.84 CHRNB2 (0.40) PPARDCHRNB2CHRNA4L3MBTL1MAPT
SCHEMBL24651039 0.82 FFAR1 (0.44) PPARDFFAR1FFAR4PPARAHTR2A
SCHEMBL24650427 0.82 PYGL (0.38) CHRNB2CHRNA4MAPTHTR2ALMNA

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-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed