SCHEMBL9548494

SCHEMBL9548494

COc1ccc(COC(=O)C2C(=CSc3ccncc3)C(C)[C@H]3[C@@H](C(C)O)C(=O)N23)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.39
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32
F10 P00742 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.30
PKM P14618 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
SCHEMBL9548492 1.00 ELANE (0.39) ELANEFABP7FABP5F10SMN1; SMN2
SCHEMBL10590408 1.00 ELANE (0.39) ELANEFABP7FABP5F10SMN1; SMN2
SCHEMBL10590411 0.90 ELANE (0.38) ELANEFABP7FABP5F10SMN1; SMN2
SCHEMBL9548413 0.90 ELANE (0.38) ELANEFABP7FABP5F10SMN1; SMN2
SCHEMBL9548416 0.90 ELANE (0.38) ELANEFABP7FABP5F10SMN1; SMN2
SCHEMBL7806835 0.81 ELANE (0.48) ELANEFABP7FABP5MEN1KMT2A
SCHEMBL8825898 0.81 ELANE (0.48) ELANEFABP7FABP5MEN1KMT2A
SCHEMBL9548455 0.72 ELANE (0.42) ELANEF10KMT2ALMNA
SCHEMBL10758551 0.69 ELANE (0.48) ELANE
SCHEMBL6893609 0.69 ELANE (0.48) ELANE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336143-B1 A NEW PROCESS FOR CARBAPENEM INTERMEDIATES SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-06-09 EP disclosed
US-4960879-A REACTING SUBSTITUTED AZETIDINONE WITH TRANS SUBSTITUTED-METHYL ALKYLACRYLIC ACID AND REDUCING METAL SHIONOGI & CO., LTD. (JP) 1990-10-02 US disclosed
EP-0336143-A1 A new process for carbapenem intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1989-10-11 EP disclosed