SCHEMBL7704434

SCHEMBL7704434

CCN1C(=Cc2c(O)c(=O)c2=O)C(C)(C)c2ccc3ccccc3c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
ALDH1A1 P00352 4/20 0.34
NPSR1 Q6W5P4 4/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
THRB P10828 1/20 0.33
HIF1A Q16665 1/20 0.33
PRMT1 Q99873 3/20 0.32
CBX7 O95931 1/20 0.32
CDYL Q9Y232 1/20 0.32
CDY1; CDY1B Q9Y6F8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ELANE P08246 1/20 0.32
MAPK1 P28482 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL7701839 0.85 ABCG2 (0.32) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL2846009 0.82 PRMT1 (0.49) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL2846007 0.82 PRMT1 (0.49) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL14769841 0.80 MEN1 (0.36) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL14769832 0.79 MAPT (0.48) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL16319609 0.79 MAPT (0.48) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL13651942 0.77 HTT (0.43) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL12156973 0.77 PRMT1 (0.44) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL13657867 0.75 PRMT1 (0.40) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL12156970 0.73 MAPT (0.47) MAPTALDH1A1NPSR1MEN1KMT2A

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-1165693-A2 SQUARAINE DYES Amersham Pharmacia Biotech UK Limited (GB) 2002-01-02 EP disclosed
WO-2000058405-A2 SQUARAINE DYES AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2000-10-05 WO disclosed