SCHEMBL7873479

SCHEMBL7873479

O=[C]COc1cccc(C(=O)N2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HTT P42858 2/20 0.59
GAA P10253 2/20 0.59
HPGD P15428 4/20 0.54
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.51
LMNA P02545 2/20 0.51
RECQL P46063 1/20 0.51
F10 P00742 4/20 0.51
POLB P06746 2/20 0.50
PRSS1 P07477 1/20 0.49
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
HRH3 Q9Y5N1 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
SCHEMBL7876574 0.87 ALDH1A1 (0.68) MEN1KMT2AHPGDALDH1A1NPC1
SCHEMBL29944002 0.83 RAB9A (0.73) MEN1KMT2AHTTGAAHPGD
SCHEMBL7864765 0.82 MEN1 (0.60) MEN1KMT2AHTTGAAHPGD
SCHEMBL8800416 0.80 MEN1 (0.58) MEN1KMT2AHTTGAAHPGD
SCHEMBL24627425 0.80 MEN1 (0.60) MEN1KMT2AHTTGAAHPGD
SCHEMBL18611678 0.79 MGLL (0.59) MEN1KMT2AHTTGAAHPGD
SCHEMBL2534098 0.79 L3MBTL1 (0.74) MEN1KMT2AHTTGAAHPGD
SCHEMBL2534097 0.79 MEN1 (0.67) MEN1KMT2AHTTGAAHPGD
SCHEMBL15036865 0.78 HPGD (0.60) MEN1KMT2AHTTGAAHPGD
SCHEMBL7127339 0.77 HPGD (0.77) MEN1KMT2AHTTGAAHPGD

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
US-6329502-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS; TREATMENT OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) JAPAN ENERGY CORPORATION (JP) 2001-12-11 US disclosed
US-6313094-B1 COMPOSITION FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION JAPAN ENERGY CORPORATION (JP) 2001-11-06 US disclosed
EP-0490667-B1 HIV protease inhibitors JAPAN ENERGY CORP (JP) 1999-06-09 EP disclosed
EP-0490667-A2 HIV protease inhibitors JAPAN ENERGY CORPORATION (JP) 1992-06-17 EP disclosed