SCHEMBL11468253

SCHEMBL11468253

C=CCOC(=O)NCCSC1=C(C(=O)O)N2C(=O)C(C(C)O)[C@H]2S1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.47
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.39
FAAH O00519 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CASP1 P29466 2/20 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
SCHEMBL10735684 0.93 ELANE (0.51) ELANEMEN1KMT2APTGS1FAAH
SCHEMBL10735683 0.93 ELANE (0.51) ELANEMEN1KMT2APTGS1FAAH
SCHEMBL10733264 0.83 ELANE (0.48) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL10402234 0.83 ELANE (0.48) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL10402233 0.83 ELANE (0.48) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL9595995 0.82 MEN1 (0.41) ELANEMEN1KMT2APTGS1FAAH
SCHEMBL10739549 0.81 ELANE (0.50) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL10590331 0.81 ELANE (0.46) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL10733750 0.80 ELANE (0.55) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL21667397 0.80 ELANE (0.57) ELANEMEN1KMT2APTGS1KDM4E

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-0013662-A1 2-Penem compounds, a method for their preparation and pharmaceutical compositions comprising them SCHERING CORPORATION (US) 1980-07-23 EP disclosed