SCHEMBL5156689

SCHEMBL5156689

CCC(CC)(CNC(=O)c1ccccc1OC)c1cccc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 3/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CTSD P07339 1/20 0.47
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.45

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 0.88 HPGD (0.58) HPGDALDH1A1TP53GLAKMT2A
SCHEMBL5159518 0.87 NPC1 (0.57) HPGDTP53GLAKMT2AMEN1
SCHEMBL5162389 0.87 MEN1 (0.56) HPGDGAAALDH1A1PKMHTT
SCHEMBL7559499 0.86 KCNK3 (0.48) HPGDPKMTP53GLAKMT2A
SCHEMBL5161027 0.81 HPGD (0.41) HPGDALDH1A1TP53GLAKMT2A
SCHEMBL5176147 0.81 HPGD (0.50) HPGDTP53GLAKMT2AMEN1
SCHEMBL5159245 0.80 HPGD (0.55) HPGDALDH1A1TP53GLAKMT2A
SCHEMBL5158404 0.80 RAB9A (0.49) HPGDGAAALDH1A1TP53GLA
SCHEMBL13066416 0.78 HPGD (0.50) HPGDALDH1A1TP53GLAKMT2A
SCHEMBL5188858 0.78 STAT3 (0.49) HPGDGAAALDH1A1HTTKMT2A

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