SCHEMBL7864765

SCHEMBL7864765

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
HTT P42858 2/20 0.60
GAA P10253 1/20 0.60
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
F10 P00742 4/20 0.57
PRSS1 P07477 2/20 0.56
HPGD P15428 6/20 0.55
ALDH1A1 P00352 5/20 0.55
HRH1 P35367 1/20 0.54
CCR3 P51677 1/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
TP53 P04637 2/20 0.52
LMNA P02545 2/20 0.52
RECQL P46063 1/20 0.52
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL29944002 0.84 RAB9A (0.73) MEN1KMT2AHTTGAAHPGD
SCHEMBL6474253 0.82 HPGD (0.70) MEN1KMT2AITGB3ITGA2BHPGD
SCHEMBL7873479 0.82 MEN1 (0.59) MEN1KMT2AHTTGAAF10
SCHEMBL8800416 0.81 MEN1 (0.58) MEN1KMT2AHTTGAAF10
SCHEMBL24627425 0.81 MEN1 (0.60) MEN1KMT2AHTTGAAF10
SCHEMBL18611678 0.80 MGLL (0.59) MEN1KMT2AHTTGAAF10
SCHEMBL2534097 0.80 MEN1 (0.67) MEN1KMT2AHTTGAAHPGD
SCHEMBL2534098 0.80 L3MBTL1 (0.74) MEN1KMT2AHTTGAAHPGD
SCHEMBL15036865 0.80 HPGD (0.60) MEN1KMT2AHTTGAAF10
SCHEMBL7127339 0.78 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