SCHEMBL7978047

SCHEMBL7978047

CC=COC(=O)c1cccc2c(O)c(OCCCC)c(=O)n(C)c12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR2 P34972 11/20 0.35
CNR1 P21554 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL6576752 0.85 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL6580954 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL6580951 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7978038 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7978035 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7964550 0.82 TP53 (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL27489938 0.80 TSHR (0.56) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7978004 0.79 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7976006 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10CNR2
SCHEMBL7976004 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10CNR2

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-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed