SCHEMBL5524496

SCHEMBL5524496

CCCCCCCCCCCCCCC(C=O)(OCC)OCC.CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
FAAH O00519 2/20 0.39
HAO1 Q9UJM8 1/20 0.39
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
PPARG P37231 4/20 0.37
PPARD Q03181 4/20 0.37
PPARA Q07869 4/20 0.37
TSHR P16473 3/20 0.37
GPR84 Q9NQS5 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
TLR2 O60603 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
FABP4 P15090 1/20 0.37

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
SCHEMBL28227783 0.88 EPHX1 (0.40) TSHR
SCHEMBL21044661 0.72 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1
SCHEMBL21044688 0.72 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1
SCHEMBL21044726 0.72 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1
SCHEMBL23530133 0.72 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1
SCHEMBL23748450 0.72 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1
SCHEMBL23530132 0.72 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1
SCHEMBL23530128 0.72 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1
SCHEMBL20746188 0.72 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1
SCHEMBL23397936 0.72 KMT2A (0.80) KMT2AMAPTHAO1CES2CES1

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-1745061-A1 NOVEL AMPHIPHILIC COMPOUNDS, PREPARATION METHOD THEREOF AND APPLICATIONS OF SAME Universite D'Avignon et Des Pays Du Vaucluse (FR) 2007-01-24 EP disclosed
WO-2005116043-A1 NOVEL AMPHIPHILIC COMPOUNDS, PREPARATION METHOD THEREOF AND APPLICATIONS OF SAME UNIVERSITE D'AVIGNON ET DES PAYS DE VAUCLUSE (FR) 2005-12-08 WO disclosed