SCHEMBL4451253

SCHEMBL4451253

CCCCCCCCCCCCCCCC(=O)CC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
CES2 O00748 4/20 0.52
CES1 P23141 4/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL15393198 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
SCHEMBL8897012 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
SCHEMBL19617979 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
SCHEMBL29229899 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
SCHEMBL11038929 1.00 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
SCHEMBL12425764 0.91 CES1 (0.48) KMT2AMAPTCES2CES1GPR84
SCHEMBL2994225 0.86 KMT2A (0.56) KMT2AMAPTCES2CES1GPR84
SCHEMBL16013141 0.84 KMT2A (0.54) KMT2AMAPTCES2CES1GPR84
SCHEMBL23369880 0.84 KMT2A (0.48) KMT2AMAPTCES2CES1GPR84
SCHEMBL8096569 0.83 KMT2A (0.52) KMT2AMAPTCES2CES1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900773-B1 Chlorine-free composition containing silane groups EVONIK DEGUSSA GMBH (DE) 2009-07-01 EP claimed
EP-1387846-B1 CATALYST FOR ENANTIOSELECTIVE REDUCTION OF KETONES CENTRE NAT RECH SCIENT (FR) 2006-03-22 EP disclosed
EP-1387846-A1 CATALYST FOR ENANTIOSELECTIVE REDUCTION OF KETONES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-02-11 EP disclosed
WO-2002094837-A1 CATALYST FOR ENANTIOSELECTIVE REDUCTION OF KETONES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2002-11-28 WO disclosed