SCHEMBL25680277

SCHEMBL25680277

CCCOCCOCCC(=O)Nc1ccc(COC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
TP53 P04637 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAPT P10636 5/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ALDH1A1 P00352 4/20 0.44
NAMPT P43490 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL26445737 0.84 MAPT (0.47) HPGDTP53HDAC1HDAC2HDAC3
SCHEMBL25680280 0.83 TP53 (0.46) HPGDTP53HDAC1HDAC2HDAC3
SCHEMBL11420601 0.79 MAPT (0.61) HPGDTP53HDAC1HDAC2HDAC3
SCHEMBL25680273 0.79 LTA4H (0.43) TP53HDAC1HDAC2HDAC3HDAC4
SCHEMBL26445397 0.78 MEN1 (0.42) TP53MAPTALDH1A1L3MBTL1LMNA
SCHEMBL17874890 0.77 HPGD (0.47) HPGDTP53HDAC1HDAC2HDAC3
SCHEMBL14962787 0.76 CA12 (0.46) HPGDMAPTALDH1A1NAMPTL3MBTL1
SCHEMBL21128695 0.74 LTA4H (0.60) HPGDMAPTALDH1A1LMNAMEN1
SCHEMBL13820074 0.74 TP53 (0.43) HPGDTP53MAPTALDH1A1NAMPT
SCHEMBL24115701 0.74 SMN1; SMN2 (0.41) HPGDHDAC2MAPTALDH1A1MEN1

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-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 WO disclosed