SCHEMBL2853192

SCHEMBL2853192

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 1/20 0.34
CASP1 P29466 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
XBP1 P17861 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
SCHEMBL2851798 0.88 PDE4A (0.36) ALDH1A1HPGDKDM4EL3MBTL1MAPT
SCHEMBL2853200 0.81 XPO1 (0.42) XPO1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL2859252 0.78 MAPT (0.41) L3MBTL1MAPTMAPK1RAB9AGAA
SCHEMBL2853131 0.76 ALDH1A1 (0.32) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2855336 0.76 SMN1; SMN2 (0.38) ALDH1A1MAPTRAB9AKMT2AMEN1
SCHEMBL2851115 0.75 LMNA (0.40) HPGDKDM4EMAPTMAPK1RAB9A
SCHEMBL2853196 0.73 CASP1 (0.54) CDC7DBF4ALDH1A1HPGDKDM4E
SCHEMBL8627488 0.72 CYP4F2 (0.50) ALDH1A1KDM4EMAPTMAPK1CASP1
SCHEMBL2851266 0.72 ALDH1A1 (0.42) XPO1CDC7DBF4ALDH1A1HPGD
SCHEMBL4631483 0.71 PTGS2 (0.34) L3MBTL1RAB9ANPC1

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