SCHEMBL28765985

SCHEMBL28765985

CCOC(=O)C(CC)C(=O)OCCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PIN1 Q13526 1/20 0.42
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41

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
SCHEMBL7847354 0.86 MMP8 (0.54) MMP8TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL7060682 0.86 MMP8 (0.56) MMP8TDP1L3MBTL1LMNAALDH1A1
SCHEMBL10850421 0.86 MMP8 (0.48) MMP8TDP1L3MBTL1LMNAALDH1A1
SCHEMBL12677778 0.85 TDP1 (0.55) MMP8TDP1L3MBTL1LMNAALDH1A1
SCHEMBL900165 0.85 TDP1 (0.57) MMP8TDP1L3MBTL1LMNAALDH1A1
SCHEMBL7376682 0.84 LMNA (0.55) MMP8TDP1L3MBTL1LMNAALDH1A1
SCHEMBL5321935 0.82 TDP1 (0.67) MMP8TDP1L3MBTL1LMNAALDH1A1
SCHEMBL17783287 0.81 MMP8 (0.55) MMP8TDP1L3MBTL1LMNAALDH1A1
SCHEMBL16587936 0.81 ALDH1A1 (0.49) TDP1L3MBTL1LMNAALDH1A1MAPK1
SCHEMBL18355825 0.81 TDP1 (0.50) MMP8TDP1L3MBTL1LMNAALDH1A1

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
CN-103118710-A Apoptosis imaging agents based on lantibiotic peptides GE HEALTHCARE LTD 2013-05-22 CN disclosed
CN-101128219-B Improved N4 chelator conjugates GE HEALTHCARE LTD 2012-06-20 CN disclosed
CN-101128219-A Improved N4 chelator conjugates AMERSHAM HEALTH AS (GB) 2008-02-20 CN disclosed