SCHEMBL7715446

SCHEMBL7715446

CCC(I)C(=O)NCc1ccccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
ALDH1A1 P00352 2/20 0.52
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
BLM P54132 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SGMS2 Q8NHU3 1/20 0.47
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 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
SCHEMBL5305401 0.80 LMNA (0.60) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL5335651 0.77 LMNA (0.57) GAAALDH1A1MEN1KMT2ALMNA
Iodide SCHEMBL7715449 0.77 L3MBTL1 (0.58) GAAALDH1A1MEN1KMT2ALMNA
Bicarbonate SCHEMBL27963003 0.75 HTR1A (0.61) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL5092381 0.73 GAA (0.67) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL3040254 0.73 DPP7 (0.45) GAAALDH1A1MMEACECPA1
SCHEMBL10712905 0.73 LMNA (0.64) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL1894256 0.73 HTR1A (0.67) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL19001344 0.72 GAA (0.97) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL5092378 0.72 LMNA (0.66) GAAALDH1A1MEN1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed