SCHEMBL7286111

SCHEMBL7286111

O=[C]COC(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
SCN1A P35498 3/20 0.46
SCN2A Q99250 3/20 0.46
SCN3A Q9NY46 3/20 0.46
KCNH2 Q12809 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46
CHRM3 P20309 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL9808521 0.79 TSHR (0.39) MEN1KMT2ASMN1; SMN2SCN1ASCN2A
SCHEMBL7870258 0.79 LMNA (0.49) MEN1KMT2ASMN1; SMN2KCNH2LMNA
SCHEMBL17288627 0.78 MEN1 (0.51) MEN1KMT2ASMN1; SMN2SCN1ASCN2A
SCHEMBL9414519 0.78 MEN1 (0.51) MEN1KMT2ASMN1; SMN2SCN1ASCN2A
SCHEMBL4667564 0.74 SCN1A (0.65) SMN1; SMN2SCN1ASCN2ASCN3AKCNH2
SCHEMBL8201363 0.71 SCN1A (0.47) SMN1; SMN2SCN1ASCN2ASCN3AKCNH2
SCHEMBL1505811 0.70 SCN1A (0.50) MEN1KMT2ASMN1; SMN2SCN1ASCN2A
SCHEMBL10982436 0.70 SCN1A (0.50) MEN1KMT2ASMN1; SMN2SCN1ASCN2A
SCHEMBL30231920 0.70 SCN1A (0.50) MEN1KMT2ASMN1; SMN2SCN1ASCN2A
SCHEMBL4669231 0.70 SLC6A2 (0.61) SMN1; SMN2SCN1ASCN2ASCN3AKCNH2

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 6 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-0360685-B1 1-[(Diaryl methoxy)alkyl] pyrrolidines and piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA (FR) 1994-02-02 EP disclosed
EP-0490667-A2 HIV protease inhibitors JAPAN ENERGY CORPORATION (JP) 1992-06-17 EP disclosed
EP-0360685-A1 1-[(Diaryl methoxy)alkyl] pyrrolidines and piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-03-28 EP disclosed