SCHEMBL2853200

SCHEMBL2853200

C=C(COc1cc(-c2ccccc2)cnc1Cl)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.42
CASP1 P29466 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
DHODH Q02127 1/20 0.38
GRM5 P41594 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIN2B Q13224 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL2853107 0.88 ALDH1A1 (0.39) MAPTALDH1A1PPARGPPARDPPARA
SCHEMBL2859252 0.88 MAPT (0.41) MAPTPPARDMAPK1SMN1; SMN2NPC1
SCHEMBL4630931 0.85 ALDH1A1 (0.41) ALDH1A1PPARGPPARDPPARANPSR1
SCHEMBL2851266 0.82 ALDH1A1 (0.42) XPO1MAPTALDH1A1DHODHPPARD
SCHEMBL2853192 0.81 XPO1 (0.35) XPO1CASP1MAPTALDH1A1NPSR1
SCHEMBL2853614 0.77 MAP4K4 (0.40) PPARDMAPK1RAB9A
SCHEMBL2851218 0.76 CASP1 (0.62) XPO1CASP1MAPTALDH1A1DHODH
SCHEMBL2858821 0.74 ALDH1A1 (0.50) ALDH1A1NPSR1TDP1PTGDR2GLA
SCHEMBL13824904 0.74 ALDH1A1 (0.53) CASP1MAPTALDH1A1TDP1LMNA
SCHEMBL6613605 0.72 ALDH1A1 (0.53) MAPTALDH1A1TDP1SMN1; SMN2NPC1

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