SCHEMBL2878633

SCHEMBL2878633

Cc1cc(OCC2=CCCCC2=O)c(Cl)nc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
BRD4 O60885 7/20 0.36
GSTP1 P09211 1/20 0.36
HPD P32754 4/20 0.34
PDE10A Q9Y233 1/20 0.34
MAT2A P31153 2/20 0.34
PPARD Q03181 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2853202 0.93 SYK (0.39) SYKAURKBINCENPBRD4PDE10A
SCHEMBL4792958 0.85 SYK (0.39) SYKAURKBINCENPPDE10ATSHR
SCHEMBL2851460 0.80 ALDH1A1 (0.37) SYKAURKBGSTP1CYP2C19CYP2C9
SCHEMBL2849017 0.74 GSTP1 (0.42) GSTP1HPD
SCHEMBL2853278 0.72 ALDH1A1 (0.39) SYKAURKB
SCHEMBL2878634 0.72 CYP2C19 (0.39) BRD4PDE10AMAT2ACYP2C19CYP2C9
SCHEMBL2849065 0.70 GSTP1 (0.40) GSTP1
SCHEMBL2853925 0.70 PDGFRB (0.38) SYKBRD4GSTP1PPARD
SCHEMBL2850939 0.67 MPO (0.41) PPARD
SCHEMBL2853209 0.66 L3MBTL1 (0.38) SYKAURKBINCENPPDE10APPARD

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-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