SCHEMBL4633170

SCHEMBL4633170

CCCCOC(=O)NN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX1 P07099 1/20 0.39
ACHE P22303 6/20 0.38

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
SCHEMBL9847226 0.70 MAPK1 (0.52) L3MBTL1ALDH1A1LMNA
SCHEMBL27962807 0.69 EPHX1 (0.43) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL1971684 0.68 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL20495571 0.67 MAPK1 (0.39) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL1681540 0.66
SCHEMBL16824229 0.65 EPHX1 (0.59) SMN1; SMN2HPGDCYP1A2CYP2C19L3MBTL1
SCHEMBL590532 0.65 EPHX1 (0.59) RAB9AHPGDALDH1A1TSHRNPSR1
SCHEMBL5340890 0.65 ESR1 (0.56) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL1383077 0.65 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL7841197 0.65 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed