SCHEMBL5158404

SCHEMBL5158404

CCC(CC)(CNC(=O)c1ccccc1OC)c1ccc(C(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.48
CTSD P07339 1/20 0.48
LMNA P02545 3/20 0.47
KCNA3 P22001 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CACNA1G O43497 1/20 0.44
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
P2RX7 Q99572 1/20 0.43

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 0.89 HPGD (0.58) RAB9AHPGDTP53GLAKMT2A
SCHEMBL5162389 0.88 MEN1 (0.56) RAB9AHPGDTP53GLAKMT2A
SCHEMBL7559499 0.87 KCNK3 (0.48) RAB9AHPGDTP53GLAKMT2A
SCHEMBL5176147 0.87 HPGD (0.50) RAB9AHPGDTP53GLAKMT2A
SCHEMBL13066416 0.81 HPGD (0.50) RAB9AHPGDTP53GLAKMT2A
SCHEMBL5159245 0.81 HPGD (0.55) RAB9AHPGDTP53GLAKMT2A
SCHEMBL5160739 0.80 HPGD (0.44) RAB9AHPGDTP53GLAKMT2A
SCHEMBL5156689 0.80 HPGD (0.48) RAB9AHPGDTP53GLAKMT2A
SCHEMBL5159518 0.79 NPC1 (0.57) RAB9AHPGDTP53GLAKMT2A
SCHEMBL5161794 0.79 HPGD (0.56) RAB9AHPGDTP53GLAKMT2A

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