SCHEMBL5696497

SCHEMBL5696497

CC(Br)CCCC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
MAPT P10636 3/20 0.60
LMNA P02545 2/20 0.60
HDAC1 Q13547 5/20 0.55
HDAC8 Q9BY41 5/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
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
SCHEMBL2084869 0.89 L3MBTL1 (0.53) L3MBTL1TDP1MAPTLMNAHDAC1
SCHEMBL6604832 0.85 L3MBTL1 (0.64) L3MBTL1TDP1MAPTLMNAHDAC1
SCHEMBL10420753 0.84 L3MBTL1 (0.62) L3MBTL1TDP1MAPTLMNAHDAC1
SCHEMBL28613349 0.82 L3MBTL1 (0.60) L3MBTL1TDP1MAPTLMNAHDAC1
SCHEMBL21283630 0.81 L3MBTL1 (0.58) L3MBTL1TDP1MAPTLMNAHDAC1
SCHEMBL12464189 0.80 TDP1 (0.68) L3MBTL1TDP1MAPTLMNAHDAC1
SCHEMBL8411357 0.79 TDP1 (0.67) L3MBTL1TDP1MAPTLMNAHDAC1
SCHEMBL10607359 0.79 L3MBTL1 (0.56) L3MBTL1TDP1MAPTLMNAHDAC1
SCHEMBL31539038 0.79 L3MBTL1 (0.56) L3MBTL1TDP1MAPTLMNAHDAC1
SCHEMBL31539035 0.79 L3MBTL1 (0.56) L3MBTL1TDP1MAPTLMNAHDAC1

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-1673375-A2 METHOD FOR THE IN SITU PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM OXAZABOROLIDINE-BORANE COMPLEXES, WHICH ARE USED IN ASYMMETRIC REDUCTION REACTIONS PPG-Sipsy (FR) 2006-06-28 EP disclosed
WO-2005035540-A2 METHOD FOR THE IN SITU PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM OXAZABOROLIDINE-BORANE COMPLEXES, WHICH ARE USED IN ASYMMETRIC REDUCTION REACTIONS PPG-SIPSY (FR) 2005-04-21 WO disclosed