SCHEMBL2855336

SCHEMBL2855336

C=C(COc1cc(CCCCC)cnc1Cl)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
RARB P10826 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
GCK P35557 3/20 0.35

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
SCHEMBL2851798 0.87 PDE4A (0.36) SMN1; SMN2MAPTMEN1ALDH1A1KMT2A
SCHEMBL2851115 0.79 LMNA (0.40) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL2849176 0.76 SMN1; SMN2 (0.37) SMN1; SMN2PPARGPPARAMAPTMEN1
SCHEMBL2853192 0.76 XPO1 (0.35) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL2853107 0.74 ALDH1A1 (0.39) PPARGPPARAMAPTMEN1ALDH1A1
SCHEMBL8628648 0.73 SMN1; SMN2 (0.46) SMN1; SMN2PPARGPPARAMAPTNPC1
SCHEMBL2853614 0.72 MAP4K4 (0.40) RAB9A
SCHEMBL3255349 0.70 SMN1; SMN2 (0.43) SMN1; SMN2MAPTMEN1ALDH1A1KMT2A
SCHEMBL2364705 0.69 KAT8 (0.52) SMN1; SMN2PPARGPPARAMAPTMEN1
SCHEMBL6603590 0.67 MAPT (0.38) SMN1; SMN2MAPTMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778804-B1 SINGLE-COMPONENT SYSTEM BASED ON CO-REACTIVE LATEX, PREPARATION METHOD AND USE IN THE FIELD OF FORMOL-FREE COATINGS ARKEMA FRANCE (FR) 2010-01-20 EP claimed
EP-1924558-B1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-01-13 EP claimed
EP-1924558-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-05-28 EP claimed
WO-2007032016-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-22 WO claimed
EP-1924558-B1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-01-13 EP disclosed
EP-1924558-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-05-28 EP disclosed
WO-2007032016-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-22 WO disclosed