SCHEMBL8961584

SCHEMBL8961584

CC(=O)CC(Cl)C(Cl)CCCCCCCCCCCCCCC(=O)c1ccccc1.CCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B3 P37058 6/20 0.42
HDAC8 Q9BY41 7/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL3678718 0.95 L3MBTL1 (0.40) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL8961577 0.91 CES2 (0.45) L3MBTL1LMNAMAPTTDP1HDAC8
SCHEMBL5276139 0.88 L3MBTL1 (0.57) L3MBTL1LMNAMAPTTDP1HDAC8
SCHEMBL5275294 0.86 NAAA (0.44) MAPTTDP1HDAC8HDAC1HDAC3
SCHEMBL3678714 0.86 HDAC8 (0.41) L3MBTL1LMNAMAPTTDP1HDAC8
SCHEMBL10456249 0.80 CES1 (0.54) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL98957 0.80 CES1 (0.60) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL98359 0.80 CES1 (0.60) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL599772 0.80 CES1 (0.60) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL599568 0.80 CES1 (0.60) L3MBTL1LMNAMAPTTDP1HSD17B3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507013-B1 Process for the preparation of aromatic beta-diketones WITCO CORP (US) 1996-02-07 EP disclosed
EP-0507013-A1 Process for the preparation of aromatic beta-diketones WITCO CORPORATION (US) 1992-10-07 EP disclosed