SCHEMBL5156911

SCHEMBL5156911

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53
CTSD P07339 1/20 0.49
KCNA3 P22001 5/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4962470 0.85 HPGD (0.58) HPGDTP53GLACTSDKCNA3
SCHEMBL5162010 0.82 HPGD (0.56) HPGDTP53GLACTSDKCNA3
SCHEMBL5161041 0.82 HPGD (0.63) HPGDTP53GLACTSDKCNA3
SCHEMBL5161794 0.82 HPGD (0.56) HPGDTP53GLACTSDKCNA3
SCHEMBL5159057 0.81 HPGD (0.53) HPGDTP53GLACTSDKCNA3
SCHEMBL5157301 0.79 HPGD (0.61) HPGDTP53GLACTSDKCNA3
SCHEMBL5176341 0.79 HPGD (0.51) HPGDTP53GLACTSDKCNA3
SCHEMBL5161968 0.78 HPGD (0.41) HPGDTP53GLACTSDKCNA3
SCHEMBL13066416 0.78 HPGD (0.50) HPGDTP53GLACTSDKCNA3
SCHEMBL18205621 0.77 HPGD (0.61) HPGDTP53GLACTSDKCNA3

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