SCHEMBL11054307

SCHEMBL11054307

CC(=O)Oc1cc2cc(C(=O)Cl)c(=O)[nH]c2cc1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 4/20 0.40
POLB P06746 2/20 0.40
HSD17B10 Q99714 2/20 0.37
GAPDH P04406 1/20 0.35
TNFSF11 O14788 1/20 0.35
TSHR P16473 2/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL11052835 0.87 KDM4E (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10650556 0.73 CA12 (0.56) CA12CA9KDM4EALDH1A1GAA
SCHEMBL14169498 0.72 GPR35 (0.54) CA12CA9KDM4EALDH1A1GAA
SCHEMBL10318742 0.71 KDM4E (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14034586 0.71 CYP2A6 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11053871 0.71 CA12 (0.40) CA12CA9KDM4EALDH1A1GAA
SCHEMBL11053738 0.71 F12 (0.41) CA12CA9KDM4EALDH1A1GAA
SCHEMBL11056773 0.71 KDM4E (0.48) KDM4EALDH1A1GAAPOLBHSD17B10
SCHEMBL3912770 0.70 MAPT (0.50) CA12CA9KDM4EALDH1A1GAA
SCHEMBL10319865 0.70 DYRK1A (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-4468394-A Cephalosporin compounds EISAI CO., LTD. (JP) 1984-08-28 US disclosed
EP-0062328-A2 Novel penicillin and cephalosporin compounds, a process for preparing the same and antibacterial composition containing the novel compounds Eisai Co., Ltd. (JP) 1982-10-13 EP disclosed