SCHEMBL2851798

SCHEMBL2851798

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
LMNA P02545 2/20 0.35
GRM4 Q14833 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 3/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 2/20 0.32
CYP2C9 P11712 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
ABCC3 O15438 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
SCHEMBL2853192 0.88 XPO1 (0.35) LMNAKMT2AALDH1A1KDM4EHPGD
SCHEMBL2855336 0.87 SMN1; SMN2 (0.38) KMT2AALDH1A1MAPTATMRAB9A
SCHEMBL2851115 0.84 LMNA (0.40) LMNAKMT2AKDM4EHPGDCYP1A2
SCHEMBL2853107 0.79 ALDH1A1 (0.39) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL2853131 0.77 ALDH1A1 (0.32) ALDH1A1KDM4EHPGD
SCHEMBL2853614 0.77 MAP4K4 (0.40) MAPK1RAB9A
SCHEMBL22641245 0.73 PTGS2 (0.48) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL2849064 0.73 CASP1 (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL4631483 0.72 PTGS2 (0.34) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL3849724 0.71 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DLMNA

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