SCHEMBL6516611

SCHEMBL6516611

C=C(CC(=O)Oc1cccc2ccccc12)C(=O)OCC(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 3/20 0.46
PGR P06401 1/20 0.46
GAA P10253 1/20 0.46
PTGS1 P23219 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
OGG1 O15527 1/20 0.40
FAAH O00519 2/20 0.37
DRD2 P14416 2/20 0.37
CNR1 P21554 2/20 0.37
DRD3 P35462 2/20 0.37
CASP1 P29466 1/20 0.36

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
SCHEMBL6516623 0.84 ALDH1A1 (0.40) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL6520288 0.83 ALDH1A1 (0.44) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL6524364 0.83 ALDH1A1 (0.44) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL6518071 0.82 ALDH1A1 (0.41) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL6516694 0.82 MEN1 (0.44) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL6520793 0.82 KMT2A (0.44) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL6518906 0.80 CASP1 (0.41) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL6515926 0.79 MEN1 (0.46) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL6522229 0.79 MEN1 (0.44) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL1336289 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10PGRGAAPTGS1

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
US-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed