SCHEMBL787332

SCHEMBL787332

CCC(=O)NCCP(=O)(O)OC(C)CC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.33
MMP1 P03956 4/20 0.33
MMP2 P08253 3/20 0.33
MMP3 P08254 2/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
MMP9 P14780 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
MMP8 P22894 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL11699853 0.77 KDM4E (0.42) MMP1MMP2MMP3USP2TSHR
SCHEMBL14948795 0.76 PPARD (0.52) MEN1KMT2ARECQLMMP1MMP2
SCHEMBL779433 0.75 TRPM8 (0.45)
SCHEMBL9203527 0.75 ANPEP (0.40) MEN1KMT2ARECQLTSHRCA12
SCHEMBL3090613 0.75 METAP1 (0.36)
SCHEMBL4158403 0.74 PPARD (0.39) MMP1MMP2MMP3MMP8ALDH1A1
SCHEMBL1376856 0.73 PPARD (0.52) MMP1MMP2MMP3
SCHEMBL17782332 0.73 THRB (0.36) TSHR
SCHEMBL13266984 0.73 MEN1 (0.56) MEN1KMT2AMMP1MMP2MMP3
SCHEMBL1251447 0.73 PPARD (0.35) MMP1MMP2MMP3MMP8CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035303-A2 A NOVEL PROCESS FOR SYNTHESIS OF RAMELTEON, AND KEY INTERMEDIATES FOR THE SYNTHESIS OF RAMELTEON CIPLA LIMITED ET AL (IN) 2012-03-22 WO disclosed