SCHEMBL6656142

SCHEMBL6656142

CCOC(=O)C(C)(CCc1ccc(C(C)(C)C)cc1)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.49
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP8 P22894 1/20 0.44
ESRRG P62508 5/20 0.42
NR1H4 Q96RI1 3/20 0.42
EPHX2 P34913 2/20 0.42
TP53 P04637 1/20 0.41
ESRRB O95718 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL589181 0.86 SMN1; SMN2 (0.49) LMNAMAPTSMN1; SMN2MMP8MEN1
SCHEMBL7617566 0.84 MMP8 (0.61) MAPTSMN1; SMN2MMP8MEN1ALDH1A1
SCHEMBL7622533 0.80 MMP8 (0.57) MAPTSMN1; SMN2MMP8ALDH1A1HDAC3
SCHEMBL5802443 0.80 MMP8 (0.57) SLC13A5LMNAMAPTSMN1; SMN2MMP8
SCHEMBL591080 0.79 SMN1; SMN2 (0.46) SLC13A5LMNAMAPTSMN1; SMN2MMP8
SCHEMBL31001663 0.78 CYP4F2 (0.51) SLC13A5MMP8MEN1ALDH1A1KMT2A
SCHEMBL7713930 0.78 MMP8 (0.58) MAPTSMN1; SMN2MMP8MEN1ALDH1A1
SCHEMBL20521928 0.78 LMNA (0.48) LMNAMAPTSMN1; SMN2MMP8NR1H4
SCHEMBL4888029 0.78 CYP4F2 (0.68) SLC13A5LMNAMAPTSMN1; SMN2NR1H4
SCHEMBL7714028 0.76 FFAR1 (0.55) LMNAMAPTMMP8NR1H4EPHX2

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
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed