SCHEMBL9736565

SCHEMBL9736565

C=CCOC(=O)C(N1C(=O)[C@H](C(O)C(O)CC)[C@@H]1N1C(=O)c2ccccc2C1=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9735579 0.84 NPSR1 (0.36) NPSR1PKMSMN1; SMN2ALDH1A1
SCHEMBL9740373 0.82 CASP1 (0.33) PKMSMN1; SMN2ALDH1A1
SCHEMBL9737610 0.79 NPSR1 (0.34) NPSR1
SCHEMBL9735726 0.78 FAAH (0.31) PKMSMN1; SMN2
SCHEMBL9734985 0.78 CASP1 (0.37) SMN1; SMN2ALDH1A1
SCHEMBL9736215 0.78 NPSR1 (0.36) NPSR1PKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10862091 0.77 PKM (0.37) NPSR1PKMSMN1; SMN2ALDH1A1
SCHEMBL13969328 0.75 PKM (0.37) NPSR1PKMSMN1; SMN2ALDH1A1
SCHEMBL10447223 0.75 NPSR1 (0.37) NPSR1PKMSMN1; SMN2ALDH1A1
SCHEMBL9735052 0.73 NPSR1 (0.34) NPSR1PKMSMN1; SMN2ALDH1A1

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-5138050-A 6-amido-1-methyl carbapenems MERCK & CO., INC. (US) 1992-08-11 US disclosed
WO-1990000170-A1 NOVEL 6-AMIDO-1-METHYLCARBAPENEMS MERCK & CO., INC. (US) 1990-01-11 WO disclosed