SCHEMBL4896922

SCHEMBL4896922

COc1ccc(-c2cnc(Cl)c(C(O)C3=CCCC3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
JAK2 O60674 1/20 0.36
HPGD P15428 1/20 0.36
MAP4K4 O95819 2/20 0.34
FYN P06241 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHEK2 O96017 1/20 0.34
PARP1 P09874 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL2853928 0.85 ALDH1A1 (0.48) PDGFRBPDGFRAALDH1A1KDM4EJAK2
SCHEMBL2851190 0.80 ALDH1A1 (0.56) PDGFRBPDGFRAALDH1A1KDM4EJAK2
SCHEMBL2853101 0.70 KDM4E (0.40) PDGFRBPDGFRAALDH1A1KDM4EJAK2
SCHEMBL2851463 0.69 THRB (0.42) PDGFRBPDGFRAALDH1A1MAP4K4GRIN2B
SCHEMBL2853925 0.69 PDGFRB (0.38) PDGFRBPDGFRAALDH1A1KDM4EJAK2
SCHEMBL2849396 0.66 CASP1 (0.53) PDGFRBPDGFRAALDH1A1MAP4K4CHEK2
SCHEMBL4631895 0.65 MAPK14 (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2853181 0.64 ALDH1A1 (0.38) PDGFRBPDGFRAALDH1A1KDM4EMAP4K4
SCHEMBL1744640 0.63 PIK3CD (0.52) PDGFRBPDGFRAMAP4K4MEN1KMT2A
SCHEMBL2851692 0.63 ERN1 (0.51) PDGFRBPDGFRAALDH1A1MAP4K4MEN1

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-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