SCHEMBL4644424

SCHEMBL4644424

CCOC(=O)CN.CCOC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 3/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CTSK P43235 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PPID Q08752 2/20 0.39
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
PPIG Q13427 1/20 0.39

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
SCHEMBL1936376 0.91 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL22971370 0.85 MEN1 (0.51) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL6355605 0.85 GAA (0.54) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL27675332 0.82 MAOA (0.46) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL1695195 0.81 MEN1 (0.48) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL432412 0.79 MAOA (0.51) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL19183181 0.79 MEN1 (0.49) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL12333046 0.78 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL8005989 0.78 CA12 (0.49) MEN1KMT2AGAAHTTMAOA
SCHEMBL6923478 0.78 GAA (0.46) ALDH1A1MEN1KMT2ATSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685102-A4 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2008-08-20 EP disclosed
EP-1685102-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2006-08-02 EP disclosed
WO-2005047251-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed