SCHEMBL7964550

SCHEMBL7964550

CCCCOc1c(O)c2cccc(C(=O)Oc3ccccc3)c2n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
LMNA P02545 3/20 0.41
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
DHODH Q02127 1/20 0.38
FAAH O00519 4/20 0.38
MAPT P10636 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38

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 0.86 KDM4E (0.47) TP53LMNAHPGDHSD17B10KDM4E
SCHEMBL6579485 0.84 KDM4E (0.42) TP53LMNAHPGDHSD17B10ALOX15
SCHEMBL7978004 0.82 KDM4E (0.44) HPGDHSD17B10KDM4EALDH1A1TSHR
SCHEMBL7978047 0.82 ALDH1A1 (0.36) LMNAHPGDHSD17B10KDM4EALDH1A1
SCHEMBL7980772 0.79 HIF1A (0.43) LMNAHPGDHSD17B10KDM4EALDH1A1
SCHEMBL17530492 0.74 MAPT (0.48) LMNAHPGDHSD17B10ALOX15KDM4E
SCHEMBL7975932 0.74 ALOX5 (0.42) HPGDHSD17B10ALOX15KDM4EALDH1A1
SCHEMBL7978038 0.74 ALDH1A1 (0.40) TP53LMNAHPGDHSD17B10KDM4E
SCHEMBL7978035 0.74 ALDH1A1 (0.40) TP53LMNAHPGDHSD17B10KDM4E
SCHEMBL7964612 0.74 ALDH1A1 (0.44) LMNAHPGDHSD17B10KDM4EALDH1A1

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