SCHEMBL5158634

SCHEMBL5158634

COc1ccccc1C(=O)NCC(CCO)(CCC(=O)C(C)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.46
HPGD P15428 3/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CTSD P07339 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.40
GFER P55789 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5162010 0.89 HPGD (0.56) KCNA3HPGDTP53GLAALDH1A1
SCHEMBL5161968 0.87 HPGD (0.41) KCNA3HPGDTP53GLAL3MBTL1
SCHEMBL5161213 0.85 HPGD (0.47) KCNA3HPGDTP53GLAL3MBTL1
SCHEMBL5159057 0.82 HPGD (0.53) KCNA3HPGDTP53GLAALDH1A1
SCHEMBL5161794 0.80 HPGD (0.56) KCNA3HPGDTP53GLAALDH1A1
SCHEMBL14607898 0.78 HPGD (0.44) KCNA3HPGDTP53GLAL3MBTL1
SCHEMBL13066416 0.78 HPGD (0.50) KCNA3HPGDTP53GLAL3MBTL1
SCHEMBL4962470 0.78 HPGD (0.58) KCNA3HPGDTP53GLAALDH1A1
SCHEMBL5159223 0.76 HPGD (0.39) KCNA3HPGDTP53GLAL3MBTL1
SCHEMBL5176341 0.76 HPGD (0.51) KCNA3HPGDTP53GLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126836-B1 BENZAMIDE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-02-14 EP disclosed
EP-1126836-A4 BENZAMIDE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2002-09-04 EP disclosed
EP-1126836-A1 BENZAMIDE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2001-08-29 EP disclosed
US-6194458-B1 1-(2-METHOXYPHENYL)-1-OXO-2-AZA-(S)-4-I-BUTYL-4-PHENYLBUTANE, FOR EXAMPLE; TREATING VARIOUS CONDITIONS INCLUDING TRANSPLANTATION REJECTION OF ORGANS OR TISSUES IN A PATIENT; IMMUNOSUPPRESSANT COMPOSITIONS MERCK & CO., INC. 2001-02-27 US disclosed
WO-2000025774-A1 BENZAMIDE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed