SCHEMBL28632141

SCHEMBL28632141

O=C(O)c1ccccc1Oc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
KDM4E B2RXH2 10/20 0.56
HSD17B10 Q99714 7/20 0.56
HPGD P15428 7/20 0.56
ALDH1A1 P00352 9/20 0.55
HMGB1 P09429 2/20 0.55
NAPRT Q6XQN6 2/20 0.55
ESR1 P03372 1/20 0.55
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
TSHR P16473 1/20 0.55
GGT1 P19440 1/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
BLM P54132 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPK1 P28482 1/20 0.55
USP2 O75604 1/20 0.53
PDE3A Q14432 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL28080607 0.92 HTT (0.62) HTTKDM4EHSD17B10HPGDALDH1A1
SCHEMBL3826756 0.90 HTT (0.65) HTTKDM4EHSD17B10HPGDALDH1A1
SCHEMBL29682980 0.87 HTT (0.77) HTTKDM4EHSD17B10HPGDALDH1A1
SCHEMBL446113 0.87 HTT (0.77) HTTKDM4EHSD17B10HPGDALDH1A1
SCHEMBL29839667 0.85 HTT (0.81) HTTKDM4EHSD17B10HPGDALDH1A1
Hydrochloric Acid SCHEMBL9633469 0.85 HTT (0.74) HTTKDM4EHSD17B10HPGDALDH1A1
SCHEMBL8434168 0.85 HTT (0.81) HTTKDM4EHSD17B10HPGDALDH1A1
Ethylene SCHEMBL8620063 0.83 HTT (0.71) HTTKDM4EHSD17B10HPGDALDH1A1
SCHEMBL8432348 0.82 HTT (0.56) HTTKDM4EHSD17B10HPGDALDH1A1
SCHEMBL1798 0.81 CTNNB1 (0.71) HTTKDM4EHSD17B10HPGDALDH1A1

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
CN-113461957-B Three-dimensional rare earth terbium compound and synthesis method and application thereof 皖西学院 2022-08-16 CN disclosed
CN-113461957-A Three-dimensional rare earth terbium compound and synthesis method and application thereof 皖西学院 2021-10-01 CN disclosed