SCHEMBL27355641

SCHEMBL27355641

CC(C)(C)OC(=O)C(=O)c1cccc(CN)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.56
SLC7A5 Q01650 2/20 0.49
HTR2C P28335 1/20 0.42
NR1H2 P55055 1/20 0.41
ENPP2 Q13822 1/20 0.40
CFD P00746 2/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
NOS1 P29475 3/20 0.37
NOS2 P35228 3/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
NOS3 P29474 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4928282 0.84 LOXL2 (0.69) LOXL2SLC7A5HTR2CNR1H2ENPP2
SCHEMBL27574383 0.84 LOXL2 (0.51) LOXL2SLC7A5NR1H2NOS1NOS2
Hydrochloric Acid SCHEMBL2316080 0.83 LOXL2 (0.67) LOXL2SLC7A5HTR2CNR1H2ENPP2
SCHEMBL13546226 0.80 SLC7A5 (0.42) LOXL2SLC7A5ALDH1A1NFKB1SMN1; SMN2
SCHEMBL27440895 0.79 LOXL2 (0.61) LOXL2SLC7A5HTR2CNR1H2ENPP2
SCHEMBL13525145 0.78 TMEM97 (0.44) SLC7A5CES2CES1ALDH1A1SMN1; SMN2
SCHEMBL30973065 0.78 PARP1 (0.50) CES2CES1SMN1; SMN2
SCHEMBL27294771 0.76 SLC7A5 (0.39) LOXL2SLC7A5CYP4F2CYP4A11CES2
SCHEMBL27796426 0.76 LOXL2 (0.65) LOXL2SLC7A5HTR2CENPP2CFD
SCHEMBL13028737 0.76 LOXL2 (0.60) LOXL2SLC7A5HTR2CENPP2CFD

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
CN-1052731-C Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 2000-05-24 CN disclosed
CN-1138335-A Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 1996-12-18 CN disclosed