SCHEMBL11052835

SCHEMBL11052835

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 5/20 0.54
GAA P10253 3/20 0.54
POLB P06746 1/20 0.54
CFD P00746 2/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
HSD17B10 Q99714 5/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL11054307 0.87 GRIN2D (0.42) KDM4EALDH1A1GAAPOLBCFD
SCHEMBL10318742 0.84 KDM4E (0.64) KDM4EALDH1A1GAAPOLBGRIN2D
SCHEMBL14169498 0.80 GPR35 (0.54) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL10318875 0.78 KDM4E (0.59) KDM4EALDH1A1GAAPOLBGRIN2D
SCHEMBL10321066 0.77 KDM4E (0.52) KDM4EALDH1A1GAAPOLBGRIN2D
SCHEMBL18359492 0.77 KDM4E (0.58) KDM4EALDH1A1GAAPOLBGRIN2D
SCHEMBL8828077 0.76 KDM4E (0.58) KDM4EALDH1A1GAAPOLBGRIN2D
SCHEMBL10318325 0.74 ALDH1A1 (0.52) KDM4EALDH1A1GAAPOLBGRIN2D
SCHEMBL10319010 0.74 ALDH1A1 (0.52) KDM4EALDH1A1GAAPOLBGRIN2D
SCHEMBL4414669 0.72 CNR2 (0.57) KDM4EALDH1A1GAAPOLBHSD17B10

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