SCHEMBL3521882

SCHEMBL3521882

Cc1ccc(C(N)N)cc1.NC(=O)CCCCC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.42
F2 P00734 1/20 0.42
ACHE P22303 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.38
STAT3 P40763 1/20 0.38

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
Octadecanoic Acid Amide SCHEMBL11528774 0.92 KDM4E (0.46) ALOX5CYP2C19LMNA
Adipic Acid SCHEMBL5072878 0.87 KMT2A (0.47) LMNAALDH1A1F2
P-Xylene SCHEMBL746836 0.85 ALDH1A1 (0.52) LMNAALDH1A1ACHETDP1HDAC3
Carbamic Acid SCHEMBL8735462 0.84 LMNA (0.52) ALOX5CYP2C19LMNAALDH1A1F2
P-Xylene SCHEMBL18427877 0.83 ALDH1A1 (0.50) CYP2C19LMNAALDH1A1TDP1HDAC3
P-Xylene SCHEMBL6033011 0.83 ALDH1A1 (0.50) CYP2C19LMNAALDH1A1TDP1HDAC3
SCHEMBL295971 0.80 ALOX5 (0.45) ALOX5CYP2C19LMNAALDH1A1ACHE
Methyl Alcohol SCHEMBL7119743 0.79 F2 (0.46) ALOX5LMNAF2ACHETDP1
SCHEMBL34363 0.78 ACHE (0.50) ALOX5ALDH1A1F2ACHETDP1
SCHEMBL9018907 0.78 ACHE (0.50) ALOX5ALDH1A1F2ACHETDP1

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-2208426-A1 2,5-bis(1,1,3,3-tetramethylbutyl) hydroquinone package and method for producing same Yamamoto Chemicals, Inc. (JP) 2010-07-21 EP disclosed
EP-1144259-B1 ACTIVE OXYGEN SCAVENGER PACKAGING BP CORP NORTH AMERICA INC (US) 2004-05-06 EP disclosed
US-6406766-B1 POLYESTER BLENDS BP CORPORATION NORTH AMERICA INC. 2002-06-18 US disclosed
EP-1144259-A2 ACTIVE OXYGEN SCAVENGER PACKAGING BP Corporation North America, Inc. (US) 2001-10-17 EP disclosed
WO-2000037321-A2 ACTIVE OXYGEN SCAVENGER PACKAGING BP CORPORATION NORTH AMERICA, INC. (US) 2000-06-29 WO disclosed