SCHEMBL5159245

SCHEMBL5159245

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
TP53 P04637 2/20 0.55
GLA P06280 1/20 0.55
CTSD P07339 1/20 0.54
POLB P06746 1/20 0.50
KCNA3 P22001 1/20 0.48
LMNA P02545 1/20 0.48
STAT3 P40763 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
P2RX7 Q99572 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
HCRTR1 O43613 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 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
SCHEMBL5159187 0.88 HPGD (0.51) HPGDTP53GLACTSDPOLB
SCHEMBL4962470 0.86 HPGD (0.58) HPGDTP53GLACTSDPOLB
SCHEMBL5175004 0.85 KMT2A (0.48) HPGDTP53GLACTSDPOLB
SCHEMBL5162389 0.83 MEN1 (0.56) HPGDTP53GLACTSDPOLB
SCHEMBL5176147 0.82 HPGD (0.50) HPGDTP53GLACTSDPOLB
SCHEMBL5158404 0.81 RAB9A (0.49) HPGDTP53GLACTSDPOLB
SCHEMBL5156689 0.80 HPGD (0.48) HPGDTP53GLACTSDPOLB
SCHEMBL13066416 0.79 HPGD (0.50) HPGDTP53GLACTSDPOLB
SCHEMBL5159518 0.79 NPC1 (0.57) HPGDTP53GLACTSDPOLB
SCHEMBL5161794 0.79 HPGD (0.56) HPGDTP53GLACTSDPOLB

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