SCHEMBL9689616

SCHEMBL9689616

C=CCOC(=O)C1=C(CO)[C@H](C)[C@H]2[C@@H](C(C)O)C(=O)N12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAP Q12884 1/20 0.36
CACNA1C Q13936 1/20 0.33
ELANE P08246 1/20 0.32
CYP3A4 P08684 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
FAAH O00519 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
SCHEMBL7495492 0.87 FAAH (0.30) FAAH
SCHEMBL22844559 0.87 FAAH (0.30) FAAH
SCHEMBL10440523 0.83 FAP (0.43) FAPCACNA1CELANECYP3A4CA1
SCHEMBL1387281 0.83 FAP (0.31) FAPELANE
SCHEMBL10440515 0.81 FAP (0.42) FAPCACNA1CELANECA1CA2
SCHEMBL12728416 0.81 FAP (0.34) FAPCACNA1CELANE
SCHEMBL8184773 0.79 CACNA1C (0.44) FAPCACNA1CELANE
SCHEMBL7502095 0.78 FAAH (0.32) FAAH
SCHEMBL7498661 0.78 FAAH (0.32) FAAH
SCHEMBL7489847 0.78 FAAH (0.32) FAAH

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
EP-0481116-A1 A process for producing halomethylcarbapenems SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-04-22 EP disclosed
US-5064954-A Phosphorylation of hydroxymethylcarbapem and halogenation; bactericides SHIONOGI & CO., LTD. (JP) 1991-11-12 US disclosed