SCHEMBL7876533

SCHEMBL7876533

O=[C]COc1cccc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.54
MAOB P27338 3/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
GGPS1 O95749 1/20 0.49
LTA4H P09960 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
BACE1 P56817 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NR4A2 P43354 1/20 0.45
MAOA P21397 1/20 0.44
PTGER4 P35408 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL2641181 0.82 CHRNB2 (0.47) MAOBLTA4HHDAC1HDAC2MAOA
SCHEMBL5254176 0.82 LTA4H (0.53) SOD1MRGPRX4GGPS1LTA4HRXRA
SCHEMBL24458 0.82 KCNA3 (0.50) LTA4HHDAC1HDAC2
SCHEMBL20540823 0.81 MAOB (0.69) SOD1MAOBMRGPRX4GGPS1LTA4H
SCHEMBL14280100 0.78 LTA4H (0.54) SOD1MAOBMRGPRX4GGPS1LTA4H
SCHEMBL7864743 0.77 MAPT (0.48)
SCHEMBL5254418 0.76 LMNA (0.56) MAOBMRGPRX4
SCHEMBL7771384 0.76 CHRNB2 (0.50)
SCHEMBL5806916 0.76 MAOB (0.55) SOD1MAOBMRGPRX4MAOA
SCHEMBL11686736 0.76 TP53 (0.53) LTA4HRXRARXRB

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