SCHEMBL29048469

SCHEMBL29048469

COC(=O)CCCCCCC(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
LMNA P02545 2/20 0.71
MAPT P10636 2/20 0.71
HDAC8 Q9BY41 8/20 0.65
HDAC1 Q13547 8/20 0.65
HDAC3 O15379 3/20 0.65
HDAC2 Q92769 3/20 0.65
HDAC4 P56524 2/20 0.65
HDAC7 Q8WUI4 2/20 0.65
HDAC10 Q969S8 2/20 0.65
HDAC11 Q96DB2 2/20 0.65
HDAC6 Q9UBN7 2/20 0.65
HDAC9 Q9UKV0 2/20 0.65
HDAC5 Q9UQL6 2/20 0.65
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53

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
SCHEMBL6913209 1.00 TDP1 (0.71) TDP1L3MBTL1LMNAMAPTHDAC8
SCHEMBL6156819 1.00 TDP1 (0.71) TDP1L3MBTL1LMNAMAPTHDAC8
SCHEMBL4172632 1.00 TDP1 (0.71) TDP1L3MBTL1LMNAMAPTHDAC8
SCHEMBL6336402 0.98 TDP1 (0.68) TDP1L3MBTL1LMNAMAPTHDAC8
SCHEMBL941120 0.95 TDP1 (0.62) TDP1L3MBTL1LMNAMAPTHDAC8
SCHEMBL10986985 0.88 HDAC1 (0.63) TDP1L3MBTL1LMNAMAPTHDAC8
SCHEMBL135356 0.87 NR4A2 (0.61) TDP1L3MBTL1LMNAMAPTKMT2A
SCHEMBL13335151 0.87 L3MBTL1 (0.56) TDP1L3MBTL1LMNAMAPTHDAC8
SCHEMBL10651358 0.85 NPC1 (0.59) TDP1L3MBTL1LMNAMAPTHDAC8
SCHEMBL10648371 0.85 LTA4H (0.54) TDP1L3MBTL1LMNAMAPTHDAC8

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
CN-114950558-B Bipiperidine skeleton tetradentate nitrogen-containing manganese catalyst and method for catalyzing hydrocarbon molecule benzyl site selective oxidation by using same 陕西师范大学 2023-08-11 CN disclosed
CN-114950558-A Bipiperidine skeleton tetradentate nitrogen-containing manganese catalyst and method for catalyzing benzyl-site selective oxidation of hydrocarbon molecules by using same 陕西师范大学 2022-08-30 CN disclosed