SCHEMBL7876574

SCHEMBL7876574

O=[C]COc1cccc(C(=O)N2CCOCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.66
TSHR P16473 2/20 0.57
RAB9A P51151 3/20 0.55
NPC1 O15118 1/20 0.55
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
F10 P00742 1/20 0.53
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
PRMT5 O14744 2/20 0.50
WDR77 Q9BQA1 2/20 0.50
RECQL P46063 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
FKBP1A P62942 1/20 0.49
ABCB1 P08183 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
SCHEMBL7873479 0.87 MEN1 (0.59) ALDH1A1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL10720509 0.79 L3MBTL1 (0.71) ALDH1A1L3MBTL1TSHRRAB9AKMT2A
SCHEMBL5115066 0.79 L3MBTL1 (0.72) ALDH1A1L3MBTL1TSHRRAB9ANPC1
SCHEMBL27767171 0.77 L3MBTL1 (0.71) ALDH1A1L3MBTL1TSHRRAB9ANPC1
SCHEMBL18704491 0.77 L3MBTL1 (0.71) ALDH1A1L3MBTL1TSHRRAB9ANPC1
SCHEMBL27682978 0.77 L3MBTL1 (0.71) ALDH1A1L3MBTL1TSHRRAB9ANPC1
SCHEMBL28294867 0.74 HPGD (0.71) ALDH1A1L3MBTL1TSHRRAB9ASMN1; SMN2
SCHEMBL10774877 0.74 NR4A2 (0.61) RAB9ANPC1KMT2A
SCHEMBL29482202 0.74 L3MBTL1 (0.62) ALDH1A1L3MBTL1TSHRRAB9ANPC1
SCHEMBL7416946 0.74 KDM4E (0.63) ALDH1A1L3MBTL1SMN1; SMN2KDM4EHPGD

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