SCHEMBL2859252

SCHEMBL2859252

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
PPARD Q03181 4/20 0.40
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ABL1 P00519 1/20 0.38
PIM1 P11309 1/20 0.38
MAPK1 P28482 1/20 0.38
AURKB Q96GD4 1/20 0.38
CHRNA7 P36544 2/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
FYN P06241 1/20 0.38
TP53 P04637 1/20 0.38
PTPN11 Q06124 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL2853614 0.90 MAP4K4 (0.40) RAB9APDGFRBPDGFRAPPARDABL1
SCHEMBL2853200 0.88 XPO1 (0.42) MAPTNPC1RAB9AL3MBTL1PPARD
SCHEMBL2853107 0.78 ALDH1A1 (0.39) MAPTPDGFRBPDGFRAPPARDMAP4K4
SCHEMBL2853192 0.78 XPO1 (0.35) MAPTNPC1RAB9AL3MBTL1GAA
SCHEMBL2849396 0.77 CASP1 (0.53) MAPTNPC1RAB9AL3MBTL1PDGFRB
SCHEMBL2851115 0.71 LMNA (0.40) MAPTNPC1RAB9AMAPK1TP53
SCHEMBL2851266 0.70 ALDH1A1 (0.42) MAPTL3MBTL1PPARDPOLBMAPK1
SCHEMBL2851798 0.69 PDE4A (0.36) MAPTRAB9AL3MBTL1MAPK1TP53
SCHEMBL2919480 0.66 ALDH1A1 (0.45) MAPTL3MBTL1POLBGAATP53
SCHEMBL7692787 0.66 HTT (0.51) L3MBTL1POLBGAATP53HTT

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 4 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-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