SCHEMBL7760502

SCHEMBL7760502

CC(C)(C)OC(=O)C(NC(=N)N)(C(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
GAA P10253 1/20 0.35
EPHX1 P07099 3/20 0.35
SSTR4 P31391 2/20 0.33
HPGD P15428 1/20 0.31
BTK Q06187 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7721962 0.83 PLG (0.33) DGAT1LMNA
SCHEMBL27950403 0.72 GAA (0.41) DGAT1GAAEPHX1SSTR4HPGD
SCHEMBL1372061 0.71 DGAT1 (0.46) DGAT1GAAEPHX1SSTR4HPGD
SCHEMBL3983126 0.71 MEN1 (0.37) EPHX1SSTR4MEN1ALDH1A1LMNA
SCHEMBL20635363 0.71 DGAT1 (0.43) DGAT1GAAEPHX1SSTR4HPGD
SCHEMBL6597535 0.70 DGAT1 (0.42) DGAT1GAAEPHX1SSTR4HPGD
SCHEMBL28077248 0.69 DGAT1 (0.45) DGAT1GAAEPHX1SSTR4HPGD
SCHEMBL6886101 0.69 GAA (0.43) GAAEPHX1SSTR4BTK
SCHEMBL6512299 0.68 DGAT1 (0.41) DGAT1GAAEPHX1HPGDBTK
SCHEMBL26605075 0.68 DGAT1 (0.37) DGAT1GAAEPHX1SSTR4HPGD

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-1087940-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT AstraZeneca AB (SE) 2001-04-04 EP disclosed
WO-1999067203-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-12-29 WO disclosed