SCHEMBL5162333

SCHEMBL5162333

CC(CCCC(=O)O)(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 1/20 0.47
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.42
ESR1 P03372 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL3278389 0.89 CYP2C19 (0.43) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL19586029 0.89 HIF1A (0.50) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL29438237 0.88 MAPT (0.47) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL27628142 0.86 CYP2C19 (0.43) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL3279812 0.84 CYP2C19 (0.42) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL4003489 0.84 CYP2C19 (0.44) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL4007554 0.84 KIF11 (0.47) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL3279710 0.83 CYP2C19 (0.41) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL28727389 0.82 KIF11 (0.46) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL28727607 0.82 KIF11 (0.46) CYP2C19HIF1AHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618157-B1 USE OF POLYANHYDRIDES IN ANTIFOULING PAINT AND ANTIFOULING PAINT CONTAINING POLYANHYDRIDES JOTUN AS (NO) 2007-03-14 EP disclosed
EP-1618157-A1 POLYANHYDRIDES, PROCESS FOR THE PREPARATION, USE IN ANTIFOULING PAINT AND ANTIFOULING PAINT CONTAINING POLYANHYDRIDES Jotun AS (NO) 2006-01-25 EP disclosed
WO-2004096927-A1 POLYANHYDRIDES, PROCESS FOR THE PREPARATION, USE IN ANTIFOULING PAINT AND ANTIFOULING PAINT CONTAINING POLYANHYDRIDES JOTUN AS (NO) 2004-11-11 WO disclosed
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