SCHEMBL8553112

SCHEMBL8553112

O=C(CBr)NCCCCCCc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.55
PLAAT5 Q96KN8 1/20 0.55
PLAAT2 Q9NWW9 1/20 0.55
PLAAT4 Q9UL19 1/20 0.55
HRH3 Q9Y5N1 2/20 0.54
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
TRPV1 Q8NER1 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 2/20 0.49
PYGL P06737 1/20 0.49

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
SCHEMBL4268220 0.87 LMNA (0.62) L3MBTL1LMNAALDH1A1
SCHEMBL7013073 0.84 TRPV1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8443451 0.84 TRPV1 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23148266 0.81 TRPV1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11131572 0.78 HPGD (0.62) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL1041910 0.77 L3MBTL1 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23565002 0.76 KMT2A (0.66) L3MBTL1ALDH1A1
SCHEMBL16853230 0.75 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23475919 0.75 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16853225 0.75 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed