SCHEMBL18759028

SCHEMBL18759028

CCCCN(CCOC)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.47
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 2/20 0.39
MLYCD O95822 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC3 O15379 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CA7 P43166 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL18759031 0.90 CA14 (0.42) CA14CA12CA1CA9MLYCD
SCHEMBL25969918 0.89 CA14 (0.54) CA14MMP1MMP2MMP3MMP8
SCHEMBL8285770 0.86 CA14 (0.51) CA14MMP1MMP2MMP3MMP8
SCHEMBL25489016 0.86 CA14 (0.51) CA14CA12CA1HDAC1HDAC2
SCHEMBL18769164 0.85 CA14 (0.46) CA14MMP1MMP2MMP3MMP8
SCHEMBL20365669 0.84 MLYCD (0.44) CA14MMP1MMP2MMP3MMP8
SCHEMBL14755630 0.84 CA14 (0.54) CA14MMP1MMP2MMP3MMP8
SCHEMBL8021973 0.84 CA14 (0.54) CA14MMP1MMP2MMP3MMP8
SCHEMBL23857521 0.83 CA14 (0.45) CA14MLYCDHDAC1HDAC2HDAC3
SCHEMBL3024648 0.83 CA14 (0.53) CA14MMP1MMP2MMP3MMP8

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-2017066797-A1 TRINUCLEOTIDE MRNA CAP ANALOGS MODERNATX, INC. (US) 2017-04-20 WO disclosed