SCHEMBL2850974

SCHEMBL2850974

Cc1cnc(Cl)c(OCC2=CCCC2=O)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL2849017 0.92 GSTP1 (0.42) GSTP1
SCHEMBL2853089 0.84 GSTP1 (0.32) GSTP1
SCHEMBL2853278 0.79 ALDH1A1 (0.39)
SCHEMBL2853202 0.73 SYK (0.39) L3MBTL1NPC1
SCHEMBL2851460 0.72 ALDH1A1 (0.37) GSTP1
SCHEMBL17696409 0.70 GRM5 (0.44) L3MBTL1
SCHEMBL22332620 0.69 GCK (0.51) L3MBTL1NPC1
SCHEMBL2878633 0.66 SYK (0.37) GSTP1
SCHEMBL14474332 0.66 SMN1; SMN2 (0.42) L3MBTL1NPC1
SCHEMBL13928210 0.66 CHRNB2 (0.43) L3MBTL1NPC1

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