SCHEMBL8825898

SCHEMBL8825898

COc1ccc(COC(=O)C2C(=O)[C@H](C)[C@H]3[C@@H](C(C)O)C(=O)N23)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.48
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL7806835 1.00 ELANE (0.48) ELANEFABP7FABP5MEN1KMT2A
SCHEMBL14875217 0.85 ELANE (0.48) ELANEALDH1A1
SCHEMBL18036888 0.85 ELANE (0.48) ELANEALDH1A1
SCHEMBL2062622 0.85 ELANE (0.48) ELANEALDH1A1
SCHEMBL10768544 0.85 ELANE (0.48) ELANEALDH1A1
SCHEMBL10758551 0.85 ELANE (0.48) ELANEALDH1A1
SCHEMBL6893609 0.85 ELANE (0.48) ELANEALDH1A1
SCHEMBL9039878 0.85 ELANE (0.48) ELANEALDH1A1
SCHEMBL10767245 0.85 ELANE (0.48) ELANEALDH1A1
SCHEMBL10675931 0.85 ELANE (0.48) ELANEALDH1A1

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-5703243-A Intermediates for pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1997-12-30 US disclosed