SCHEMBL7824225

SCHEMBL7824225

O=C(O)CCCCCC(=O)c1ccccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 7/20 0.59
▸ HDAC1 Q13547 6/20 0.59
▸ HDAC3 O15379 2/20 0.59
▸ HDAC4 P56524 2/20 0.59
▸ HDAC7 Q8WUI4 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC10 Q969S8 2/20 0.59
▸ HDAC11 Q96DB2 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59
▸ HDAC9 Q9UKV0 2/20 0.59
▸ HDAC5 Q9UQL6 2/20 0.59
▸ MAPT P10636 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TBXAS1 P24557 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL9509388 0.96 HDAC3 (0.53) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL7814770 0.87 NR4A2 (0.55) L3MBTL1LMNATBXAS1HPGDATM
SCHEMBL5253811 0.86 L3MBTL1 (0.46) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL5253810 0.86 L3MBTL1 (0.46) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL9110108 0.84 ALDH1A1 (0.46) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL5416922 0.84 HTT (0.51) HDAC8HDAC1MAPTLMNAATM
SCHEMBL28223023 0.84 HTT (0.51) HDAC8HDAC1MAPTLMNAATM
SCHEMBL15844766 0.84 HTT (0.51) HDAC8HDAC1MAPTLMNAATM
SCHEMBL15844695 0.84 HTT (0.51) HDAC8HDAC1MAPTLMNAATM
SCHEMBL15979732 0.82 ALDH1A1 (0.53) MAPTL3MBTL1LMNAHPGDATM

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
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