SCHEMBL2853614

SCHEMBL2853614

C=C(COc1cc(-c2ccc(OC)cc2)cnc1Cl)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.40
FYN P06241 2/20 0.40
ABL1 P00519 1/20 0.40
PIM1 P11309 1/20 0.40
MAPK1 P28482 1/20 0.40
AURKB Q96GD4 1/20 0.40
CHEK2 O96017 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CHRNA7 P36544 1/20 0.39
PPARD Q03181 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
DYRK1A Q13627 1/20 0.39
PARP1 P09874 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
WNT3A P56704 1/20 0.39
KIT P10721 1/20 0.38
RAB9A P51151 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 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
SCHEMBL2859252 0.90 MAPT (0.41) MAP4K4FYNABL1PIM1MAPK1
SCHEMBL2853107 0.88 ALDH1A1 (0.39) MAP4K4FYNPDGFRBPDGFRAPPARD
SCHEMBL2851115 0.79 LMNA (0.40) MAPK1RAB9A
SCHEMBL2853200 0.77 XPO1 (0.42) MAPK1PPARDRAB9A
SCHEMBL2851798 0.77 PDE4A (0.36) MAPK1RAB9A
SCHEMBL2855336 0.72 SMN1; SMN2 (0.38) RAB9A
SCHEMBL19469475 0.71 ALDH1A1 (0.41) RAB9A
SCHEMBL2850939 0.69 MPO (0.41) MAPK1PPARD
SCHEMBL2849396 0.69 CASP1 (0.53) MAP4K4ABL1PIM1MAPK1AURKB
SCHEMBL2853925 0.68 PDGFRB (0.38) FYNPDGFRBPDGFRAPPARDKIT

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 6 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 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