SCHEMBL7872225

SCHEMBL7872225

C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
CA12 O43570 3/20 0.33
CA14 Q9ULX7 3/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CA1 P00915 2/20 0.30
CA7 P43166 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL31047728 0.85 CA12 (0.33) CA12CA14MEN1GAAKMT2A
SCHEMBL25267724 0.84 CA12 (0.32) CA12CA14MEN1GAAKMT2A
SCHEMBL25267723 0.84 CA12 (0.32) CA12CA14MEN1GAAKMT2A
SCHEMBL25221283 0.84 CA12 (0.32) CA12CA14MEN1GAAKMT2A
SCHEMBL25267584 0.82 CA12 (0.31) CA12CA14
SCHEMBL25268426 0.82 CA12 (0.31) CA12CA14
SCHEMBL25221686 0.82 CA12 (0.31) CA12CA14
SCHEMBL22186495 0.77 KMT2A (0.33) CA12CA14MEN1GAAKMT2A
SCHEMBL11106058 0.76 MEN1 (0.34) CA14MEN1GAAKMT2ACA1
SCHEMBL29463474 0.76 MEN1 (0.34) CA14MEN1GAAKMT2ACA1

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