SCHEMBL7825403

SCHEMBL7825403

O=C(O)CCc1ccc(C(=O)CCCCC(=O)c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.62
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
DPP4 P27487 1/20 0.59
FFAR1 O14842 3/20 0.59
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58

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
SCHEMBL11134116 0.91 L3MBTL1 (0.54) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11133284 0.90 HDAC3 (0.54) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11134102 0.90 HDAC3 (0.54) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11134216 0.90 HDAC3 (0.54) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7829240 0.89 DPP4 (0.65) L3MBTL1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL11134492 0.88 HDAC3 (0.53) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7822245 0.86 HSD17B10 (0.68) L3MBTL1HDAC3HDAC4HDAC1HDAC7
Acetamide SCHEMBL11135742 0.86 L3MBTL1 (0.60) L3MBTL1FFAR1HSD17B10
SCHEMBL11135739 0.83 ADRA1A (0.57) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11131232 0.83 ADRA1A (0.57) L3MBTL1HDAC3HDAC4HDAC1HDAC7

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