SCHEMBL5786901

SCHEMBL5786901

CCOC(=O)COc1ccc(C(=O)CN2C=C3C=CC(C(=N)NO)C(=O)C3C2)c(OCC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.35
ADORA2B P29275 2/20 0.33
ALDH1A1 P00352 8/20 0.33
KDM4E B2RXH2 7/20 0.33
GAA P10253 6/20 0.33
HSD17B10 Q99714 5/20 0.33
MAPT P10636 3/20 0.33
GLA P06280 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NTSR1 P30989 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 3/20 0.32
POLB P06746 2/20 0.32
PDE3B Q13370 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
SCHEMBL5783853 0.95 ADORA2B (0.37) HPGDADORA2BALDH1A1KDM4EGAA
SCHEMBL5784329 0.95 HPGD (0.34) HPGDADORA2BALDH1A1KDM4EGAA
SCHEMBL5785742 0.95 HPGD (0.36) HPGDADORA2BALDH1A1KDM4EGAA
SCHEMBL5785165 0.93 HPGD (0.42) HPGDADORA2BALDH1A1KDM4EGAA
SCHEMBL5782261 0.93 HPGD (0.34) HPGDADORA2BALDH1A1KDM4EGAA
SCHEMBL5782960 0.92 HPGD (0.37) HPGDADORA2BALDH1A1KDM4EGAA
SCHEMBL5784707 0.91 HPGD (0.38) HPGDADORA2BALDH1A1KDM4EGAA
SCHEMBL5781728 0.89 POLB (0.36) ADORA2BALDH1A1GAAMAPTNPSR1
SCHEMBL5784542 0.88 HPGD (0.39) HPGDADORA2BALDH1A1KDM4EGAA
SCHEMBL5787816 0.87 HPGD (0.36) HPGDADORA2BALDH1A1KDM4EGAA

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-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP claimed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO claimed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed