SCHEMBL24935937

SCHEMBL24935937

COc1ccc(OCCCCCCC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
MAPT P10636 2/20 0.57
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
FFAR1 O14842 1/20 0.52
PPARG P37231 1/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
HPGD P15428 2/20 0.51
HDAC1 Q13547 6/20 0.51
HDAC3 O15379 5/20 0.51
HDAC4 P56524 5/20 0.51
HDAC7 Q8WUI4 5/20 0.51
HDAC2 Q92769 5/20 0.51
HDAC10 Q969S8 5/20 0.51
HDAC11 Q96DB2 5/20 0.51
HDAC8 Q9BY41 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC9 Q9UKV0 5/20 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
SCHEMBL10391282 0.92 MAPT (0.53) GAAMAPTMTNR1AMTNR1BL3MBTL1
SCHEMBL19043223 0.87 MAPT (0.68) GAAMAPTMTNR1AMTNR1BL3MBTL1
SCHEMBL4298103 0.86 PPARA (0.68) MAPTL3MBTL1FFAR1PPARGPPARD
SCHEMBL1801957 0.86 PPARA (0.68) MAPTL3MBTL1FFAR1PPARGPPARD
SCHEMBL8483507 0.86 PPARA (0.68) MAPTL3MBTL1FFAR1PPARGPPARD
SCHEMBL25794749 0.86 NR5A1 (0.62) GAAL3MBTL1HDAC1HDAC3HDAC4
SCHEMBL15887764 0.86 NR5A1 (0.62) GAAL3MBTL1HDAC1HDAC3HDAC4
SCHEMBL25794785 0.86 NR5A1 (0.62) GAAL3MBTL1HDAC1HDAC3HDAC4
SCHEMBL14566050 0.84 MAPT (0.56) GAAMAPTMTNR1AMTNR1BL3MBTL1
SCHEMBL15887752 0.84 GAA (0.83) GAAMAPTL3MBTL1PPARAHPGD

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
EP-4119546-A1 BIFUNCTIONAL COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Suzhou Kintor Pharmaceuticals, Inc. (CN) 2023-01-18 EP disclosed