SCHEMBL5801147

SCHEMBL5801147

CC(=O)c1ccc(O)cc1O.CCOC(=O)COc1ccc(C(C)=O)c(OCC(=O)OCC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.60
LMNA P02545 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 1/20 0.54
PPARD Q03181 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MAOB P27338 8/20 0.49
NPSR1 Q6W5P4 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL2010997 0.91 HPGD (0.70) HPGDLMNAHSD17B10MEN1TP53
SCHEMBL2013386 0.90 HPGD (0.56) HPGDLMNAHSD17B10MEN1TP53
SCHEMBL10545845 0.88 HPGD (0.52) HPGDLMNAHSD17B10MEN1TP53
SCHEMBL2226744 0.82 PTPN1 (0.52) HPGDLMNAMEN1KMT2ANPSR1
SCHEMBL12732188 0.82 HPGD (0.80) HPGDLMNAHSD17B10MEN1TP53
SCHEMBL5786028 0.81 MAOB (0.70) HPGDLMNAPPARDMAOBMAPT
SCHEMBL10547115 0.81 MAOB (0.62) HPGDLMNAMEN1KMT2AMAOB
SCHEMBL4269174 0.80 GAA (0.53) HPGDLMNAHSD17B10MEN1TP53
SCHEMBL2012737 0.80 HPGD (0.59) HPGDLMNAHSD17B10MEN1TP53
SCHEMBL7468850 0.80 HPGD (0.50) HPGDLMNAHSD17B10MEN1TP53

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-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