SCHEMBL9856816

SCHEMBL9856816

CCN(CC)C(C=O)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.34
PGR P06401 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 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
SCHEMBL11842033 0.70 HTR2A (0.33) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL5422380 0.67 ALDH1A1 (0.32)
SCHEMBL6203485 0.67
SCHEMBL8221317 0.67 PGR (0.47) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL18117408 0.67 FDPS (0.44) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL890220 0.67 PGR (0.47) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL8919464 0.67 PGR (0.47) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL27009271 0.66 ALDH1A1 (0.35) FDPS
Acetic Acid SCHEMBL5026829 0.65 PGR (0.41) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL890205 0.65 FDPS (0.37) FDPSPGRADRA2AADRA2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441333-A1 Pharmaceutical composition SHOWA YAKUHIN KAKO CO., LTD. (JP) 1991-08-14 EP disclosed