SCHEMBL7042959

SCHEMBL7042959

O=C(CCc1ccccc1)OC(=O)CCC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.52
TDP1 Q9NUW8 2/20 0.51
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
KEAP1 Q14145 1/20 0.44
MGLL Q99685 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL10636211 0.84 EPHX2 (0.53) KLK7TDP1EPHX2SMN1; SMN2MAPK1
Phenyl Propionic Acid SCHEMBL7042956 0.83 KEAP1 (0.63) EPHX2ALDH1A1L3MBTL1CYP2C19SMN1; SMN2
SCHEMBL1739439 0.82 TDP1 (0.73) TDP1ALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL3450460 0.81 EPHX2 (0.52) KLK7TDP1EPHX2ALDH1A1L3MBTL1
SCHEMBL16417273 0.80 KLK7 (0.51) KLK7TDP1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9265342 0.80 KLK7 (0.60) KLK7TDP1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5787921 0.80 KLK7 (0.53) KLK7TDP1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL11843186 0.80 HPGD (0.48) KLK7TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4065004 0.79 KLK7 (0.59) KLK7TDP1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL10557471 0.78 HPGD (0.52) KLK7TDP1ALDH1A1SMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401801-A4 SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF UNIV TENNESSEE RES CORP (US) 2004-08-18 EP disclosed
EP-1401801-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2004-03-31 EP disclosed
WO-2002016310-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2002-02-28 WO disclosed