SCHEMBL9740806

SCHEMBL9740806

C=CCOC(=O)N[C@@H]1C(=O)N(C(C(=O)OCC=C)=P(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1CCC1COC(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
KCNA3 P22001 1/20 0.32
FAAH O00519 1/20 0.31
NAMPT P43490 3/20 0.31

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
SCHEMBL9735937 0.90 ALDH1A1 (0.36)
SCHEMBL9736833 0.79 NPSR1 (0.32) TMEM97SIGMAR1
SCHEMBL9735939 0.79 NPSR1 (0.32) TMEM97SIGMAR1
SCHEMBL9739830 0.75 FAAH (0.30) FAAH
SCHEMBL9740265 0.69
SCHEMBL9740373 0.68 CASP1 (0.33) KCNA3FAAH
SCHEMBL11251517 0.68 ALDH1A1 (0.37)
SCHEMBL9740476 0.66 ALDH1A1 (0.32) TMEM97SIGMAR1
SCHEMBL10349584 0.65 PKM (0.37) FAAH
SCHEMBL10349742 0.64 PKM (0.34)

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
US-5138050-A 6-amido-1-methyl carbapenems MERCK & CO., INC. (US) 1992-08-11 US disclosed