SCHEMBL7876579

SCHEMBL7876579

O=C(O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GABBR2 O75899 3/20 0.47
GABBR1 Q9UBS5 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
DRD3 P35462 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
NFKB1 P19838 1/20 0.47
BLM P54132 1/20 0.47
THRB P10828 1/20 0.47
SLC6A9 P48067 1/20 0.45
HRH1 P35367 3/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL9291592 0.95 IDO1 (0.53) LMNASMN1; SMN2GABBR2GABBR1CYP2C9
SCHEMBL11435521 0.83 IDO1 (0.47) LMNASMN1; SMN2GABBR2GABBR1CYP2C9
SCHEMBL167430 0.82 ALOX15 (0.48) LMNASMN1; SMN2GABBR2GABBR1CYP2D6
SCHEMBL10334662 0.81 IDO1 (0.54) SMN1; SMN2DRD3MEN1KMT2AHRH1
SCHEMBL9292752 0.81 IDO1 (0.54) SMN1; SMN2CYP2D6CYP2C19DRD3CYP3A4
SCHEMBL10334895 0.81 IDO1 (0.50) LMNASMN1; SMN2CYP2D6CYP2C19DRD3
SCHEMBL9292448 0.81 MEN1 (0.48) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL11439746 0.81 CHRM2 (0.46) LMNADRD3CYP1A2TSHRSLC6A2
SCHEMBL9293047 0.80 PTGS2 (0.49) LMNASMN1; SMN2MEN1KMT2ASLC6A4
Hydrochloric Acid SCHEMBL8044031 0.80 LMNA (0.47) LMNASMN1; SMN2CYP2D6DRD3MEN1

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-0490667-A2 HIV protease inhibitors JAPAN ENERGY CORPORATION (JP) 1992-06-17 EP disclosed
US-4205087-A ANTIARTHRITIC AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-05-27 US disclosed
US-4205087-A ANTIARTHRITIC AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-05-27 US disclosed