SCHEMBL6570758

SCHEMBL6570758

CCCCc1ccccc1NC(=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
SLC16A3 O15427 5/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR35 Q9HC97 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.43

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
SCHEMBL2019462 0.87 POLB (0.58) POLBSLC16A3LMNAHTTMAPT
SCHEMBL10499689 0.86 POLB (0.50) POLBSLC16A3LMNAHTTMAPT
SCHEMBL29580948 0.85 POLB (0.64) POLBSLC16A3HTTMAPTL3MBTL1
SCHEMBL15094123 0.85 POLB (0.64) POLBSLC16A3HTTMAPTL3MBTL1
SCHEMBL21551505 0.84 MAPT (0.60) POLBLMNAHTTMAPTNPSR1
SCHEMBL23808898 0.84 NPC1 (0.64) POLBSLC16A3LMNAMAPTHDAC3
SCHEMBL1644901 0.83 MAPK1 (0.56) POLBSLC16A3HTTHDAC3HDAC4
SCHEMBL29581320 0.83 POLB (0.54) POLBSLC16A3MAPTHDAC3HDAC4
SCHEMBL1954254 0.83 POLB (0.54) POLBSLC16A3MAPTHDAC3HDAC4
SCHEMBL16532204 0.83 SLC16A3 (0.61) POLBSLC16A3LMNAMAPTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406866-A1 INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2004-04-14 EP disclosed
WO-2003008374-A1 INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2003-01-30 WO disclosed
US-3987192-A ANTIALLERGENS AND ANTIANAPHYLAXID; 2'-CYANO-OXANILIC ACID THE UPJOHN COMPANY (US) 1976-10-19 US disclosed