SCHEMBL5159057

SCHEMBL5159057

COc1ccccc1C(=O)NCC(CCCO)(CCCO)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53
CTSD P07339 1/20 0.49
KCNA3 P22001 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44
P2RX7 Q99572 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
SCHEMBL5162010 0.93 HPGD (0.56) HPGDTP53GLACTSDKCNA3
SCHEMBL5161794 0.88 HPGD (0.56) HPGDTP53GLACTSDKCNA3
SCHEMBL5162237 0.86 HPGD (0.49) HPGDTP53GLACTSDKCNA3
SCHEMBL4962470 0.85 HPGD (0.58) HPGDTP53GLACTSDKCNA3
SCHEMBL5161213 0.84 HPGD (0.47) HPGDTP53GLACTSDKCNA3
SCHEMBL5176341 0.83 HPGD (0.51) HPGDTP53GLACTSDKCNA3
SCHEMBL5158634 0.82 KCNA3 (0.46) HPGDTP53GLACTSDKCNA3
SCHEMBL5161041 0.82 HPGD (0.63) HPGDTP53GLACTSDKCNA3
SCHEMBL5156911 0.81 HPGD (0.53) HPGDTP53GLACTSDKCNA3
SCHEMBL13066416 0.80 HPGD (0.50) 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