SCHEMBL2853202

SCHEMBL2853202

Cc1cc(OCC2=CCCC2=O)c(Cl)nc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.39
AURKB Q96GD4 2/20 0.39
INCENP Q9NQS7 2/20 0.39
PDE10A Q9Y233 1/20 0.35
PPARD Q03181 3/20 0.34
BRD4 O60885 3/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MCL1 Q07820 1/20 0.33
HSP90AA1 P07900 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ERBB2 P04626 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 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
SCHEMBL2878633 0.93 SYK (0.37) SYKAURKBINCENPPDE10APPARD
SCHEMBL4792958 0.81 SYK (0.39) SYKAURKBINCENPPDE10AMRGPRX4
SCHEMBL2853278 0.79 ALDH1A1 (0.39) SYKAURKB
SCHEMBL2853205 0.70 ALDH1A1 (0.38) PDE10AMAPTHPGDTSHRRAB9A
SCHEMBL2853089 0.69 GSTP1 (0.32) HPGD
SCHEMBL2850939 0.68 MPO (0.41) PPARDLMNAMAPK1
SCHEMBL2853209 0.68 L3MBTL1 (0.38) SYKAURKBINCENPPDE10APPARD
SCHEMBL2851266 0.67 ALDH1A1 (0.42) PPARDLMNAMAPTHPGDMAPK1
SCHEMBL2849017 0.66 GSTP1 (0.42)
SCHEMBL24268258 0.65 PDE10A (0.55) PDE10AERBB2LMNAMAPTHPGD

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