SCHEMBL11078022

SCHEMBL11078022

CCn1cc(C(=O)O)c(=O)c2cc(OC(C)=O)c(OC(C)=O)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
HPGD P15428 6/20 0.60
HSD17B10 Q99714 6/20 0.60
ALDH1A1 P00352 5/20 0.60
TSHR P16473 4/20 0.60
RAB9A P51151 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
APEX1 P27695 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
LMNA P02545 6/20 0.52
HTT P42858 3/20 0.52
DRD3 P35462 1/20 0.52
BRD4 O60885 1/20 0.51
CYP2J2 P51589 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47

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
SCHEMBL10992686 0.88 KDM4E (0.46) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL7051565 0.88 KDM4E (0.68) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL9320904 0.86 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL9570278 0.82 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL9319225 0.82 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL28433722 0.81 KDM4E (0.62) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL13596328 0.81 KDM4E (0.62) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL9318828 0.80 KDM4E (0.65) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL28331869 0.80 DRD3 (0.59) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL501895 0.79 DRD3 (0.68) KDM4EHPGDHSD17B10ALDH1A1TSHR

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