SCHEMBL6285865

SCHEMBL6285865

O=C(CC(=O)OCc1ccco1)CC(=O)OCc1ccco1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
TDP1 Q9NUW8 4/20 0.50
MAPK1 P28482 3/20 0.50
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 3/20 0.48
TSHR P16473 2/20 0.48
EPHX2 P34913 3/20 0.46
LMNA P02545 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MGLL Q99685 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL11002726 0.93 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1MAPTTP53
SCHEMBL11683444 0.86 ALDH1A1 (0.70) ALDH1A1TDP1MAPK1MAPTTP53
SCHEMBL11002356 0.85 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1MAPTTP53
Ammonia Solution, Strong SCHEMBL11864495 0.85 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1MAPTTP53
SCHEMBL27622978 0.84 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1MAPTTP53
SCHEMBL3790125 0.84 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1MAPTTP53
SCHEMBL11470748 0.83 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1MAPTTP53
SCHEMBL1071087 0.82 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1MAPTTP53
SCHEMBL19434694 0.82 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1MAPTTP53
SCHEMBL4624403 0.82 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933361-B2 Thermally re-mendable cross-linked polymers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-08-23 US disclosed
US-20040014933-A1 Thermally re-mendable cross-linked polymers NATIONAL SCIENCE FOUNDATION 2004-01-22 US disclosed