SCHEMBL5161968

SCHEMBL5161968

C=CCC(O)C(=O)CCC(CCO)(CNC(=O)c1ccccc1OC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
KCNA3 P22001 5/20 0.39
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
POLB P06746 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CTSD P07339 1/20 0.37
FAAH O00519 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GFER P55789 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5159223 0.90 HPGD (0.39) HPGDTP53GLAKCNA3KMT2A
SCHEMBL5158634 0.87 KCNA3 (0.46) HPGDTP53GLAKCNA3KMT2A
SCHEMBL5162010 0.84 HPGD (0.56) HPGDTP53GLAKCNA3KMT2A
SCHEMBL5161213 0.81 HPGD (0.47) HPGDTP53GLAKCNA3KMT2A
SCHEMBL5159057 0.78 HPGD (0.53) HPGDTP53GLAKCNA3KMT2A
SCHEMBL5156911 0.78 HPGD (0.53) HPGDTP53GLAKCNA3KMT2A
SCHEMBL14607898 0.77 HPGD (0.44) HPGDTP53GLAKCNA3KMT2A
SCHEMBL5161794 0.76 HPGD (0.56) HPGDTP53GLAKCNA3KMT2A
SCHEMBL13066416 0.73 HPGD (0.50) HPGDTP53GLAKCNA3KMT2A
SCHEMBL4962470 0.73 HPGD (0.58) HPGDTP53GLAKCNA3KMT2A

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