SCHEMBL2853089

SCHEMBL2853089

CCc1cnc(Cl)c(OCC2=CCCC2=O)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.32
HPGD P15428 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
SCHEMBL2849065 0.92 GSTP1 (0.40) GSTP1
SCHEMBL2850974 0.84 GSTP1 (0.33) GSTP1
SCHEMBL2853278 0.77 ALDH1A1 (0.39)
SCHEMBL2849017 0.76 GSTP1 (0.42) GSTP1
SCHEMBL2851460 0.70 ALDH1A1 (0.37) GSTP1
SCHEMBL22641245 0.70 PTGS2 (0.48)
SCHEMBL2853090 0.69 ALDH1A1 (0.39)
SCHEMBL4631483 0.69 PTGS2 (0.34)
SCHEMBL2853202 0.69 SYK (0.39) HPGD
SCHEMBL6603590 0.68 MAPT (0.38) HPGD

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 2 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