SCHEMBL7873424

SCHEMBL7873424

COC(=O)CNc1ccccc1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
KDM4E B2RXH2 9/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 7/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AGTR1 P30556 1/20 0.41
RAB9A P51151 1/20 0.41
ADRA1D P25100 1/20 0.40

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
SCHEMBL7434506 0.88 KDM4E (0.57) ADRA1AADRA1BKDM4EGLAKMT2A
SCHEMBL31518562 0.87 KDM4E (0.57) ADRA1AADRA1BKDM4EGLAKMT2A
SCHEMBL219602 0.87 ADRA1A (0.55) ADRA1AADRA1BKDM4EGLAKMT2A
SCHEMBL7435213 0.86 KDM4E (0.66) ADRA1AADRA1BKDM4EGLAKMT2A
SCHEMBL10884917 0.85 ADRA1A (0.54) ADRA1AADRA1BKDM4EGLAKMT2A
SCHEMBL6197980 0.83 ADRA1A (0.57) ADRA1AADRA1BKDM4EGLAKMT2A
SCHEMBL4664637 0.83 ADRA1A (0.55) ADRA1AADRA1BKDM4EGLAKMT2A
SCHEMBL6740514 0.82 EGFR (0.48) ADRA1AADRA1BKDM4EGLAKMT2A
SCHEMBL7439245 0.81 ADRA1A (0.55) ADRA1AADRA1BKDM4EGLAKMT2A
SCHEMBL1643649 0.81 KDM4E (0.72) ADRA1AADRA1BKDM4EGLAKMT2A

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