SCHEMBL7204416

SCHEMBL7204416

C/[C]=C/C(=O)OC1CC2CCC1C2

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
CYP19A1 P11511 1/20 0.40
GRM1 Q13255 6/20 0.39
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
EPHX2 P34913 1/20 0.33
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
POLB P06746 1/20 0.31
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL4858290 0.81 ATM (0.65) ATMCYP19A1GRM1PDE4APDE4B
SCHEMBL31695293 0.78 ATM (0.71) ATMCYP19A1GRM1PDE4APDE4B
SCHEMBL29353750 0.77 ATM (0.65) ATMCYP19A1GRM1PDE4APDE4B
SCHEMBL641536 0.77 ATM (0.65) ATMCYP19A1GRM1PDE4APDE4B
SCHEMBL2623615 0.74 ATM (0.56) ATMCYP19A1GRM1
SCHEMBL8861152 0.74 ATM (0.56) ATMCYP19A1GRM1
SCHEMBL15219695 0.74 ATM (0.56) ATMCYP19A1GRM1
SCHEMBL3073477 0.74 ATM (0.59) ATMCYP19A1GRM1EPHX2POLB
SCHEMBL8606849 0.73 ATM (0.47) ATMCYP19A1GRM1PDE4APDE4B
SCHEMBL20636604 0.72 ATM (0.54) ATMCYP19A1GRM1PDE4APDE4B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892805-B1 PRODUCTION OF 7-AMINOCEPHALOSPORANIC ACID DERIVATIVE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
EP-0892805-A1 PRODUCTION OF 7-AMINOCEPHALOSPORANIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 1999-01-27 EP disclosed
WO-1997039002-A1 PRODUCTION OF 7-AMINOCEPHALOSPORANIC ACID DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-23 WO disclosed
EP-0229369-A2 Cephalosporins, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
EP-0225634-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-06-16 EP disclosed
EP-0203271-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-12-03 EP disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed