SCHEMBL7821163

SCHEMBL7821163

O=C(O)CCCCCC(=O)c1cccc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
HDAC1 Q13547 7/20 0.66
HDAC8 Q9BY41 6/20 0.66
HDAC3 O15379 1/20 0.66
HDAC4 P56524 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TBXAS1 P24557 1/20 0.52
PARP1 P09874 1/20 0.49
NR4A2 P43354 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL7826009 0.95 LMNA (0.60) LMNAHDAC1HDAC8HDAC3HDAC4
SCHEMBL7403811 0.88 NR4A2 (0.62) LMNAHDAC1HDAC8HDAC3HDAC4
SCHEMBL30666330 0.88 NR4A2 (0.62) LMNAHDAC1HDAC8HDAC3HDAC4
SCHEMBL3844203 0.87 HSD17B3 (0.56) LMNAL3MBTL1MAPTTDP1ALDH1A1
SCHEMBL17952793 0.87 HSD17B3 (0.56) LMNAL3MBTL1MAPTTDP1ALDH1A1
SCHEMBL13472220 0.85 L3MBTL1 (0.50) LMNAHDAC1HDAC8HDAC3HDAC4
SCHEMBL16203113 0.84 TDP1 (0.61) LMNAHDAC1HDAC8HDAC3HDAC4
SCHEMBL3604586 0.83 PARP1 (0.49) LMNAHDAC1HDAC8HDAC3HDAC4
SCHEMBL3896481 0.83 OGG1 (0.58) LMNAL3MBTL1MAPTPARP1ALDH1A1
SCHEMBL13472221 0.81 SIRT2 (0.55) LMNAL3MBTL1MAPTTDP1PARP1

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