SCHEMBL8976102

SCHEMBL8976102

CC(O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C([S+]([O-])c3ccccc3)[C@H](C)[C@H]12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.32
ESR1 P03372 1/20 0.31
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
ABCC2 Q92887 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
SCHEMBL8039606 1.00 ELANE (0.32) ELANEESR1PTGS1PDE4AABCC2
SCHEMBL9429357 0.86 ELANE (0.35) ELANEESR1PTGS1PDE4A
SCHEMBL9427926 0.86
SCHEMBL8040731 0.83 ELANE (0.32) ELANE
SCHEMBL8042493 0.83 SMN1; SMN2 (0.31) ELANE
SCHEMBL8834929 0.83 SMN1; SMN2 (0.31) ELANE
SCHEMBL9128902 0.82 PTGS1 (0.42) ELANEESR1PTGS1PDE4AABCC2
SCHEMBL8576696 0.82 PTGS1 (0.42) ELANEESR1PTGS1PDE4AABCC2
SCHEMBL9836778 0.82 PTGS1 (0.42) ELANEESR1PTGS1PDE4AABCC2
SCHEMBL8038866 0.79 KDM4E (0.32) ELANEESR1

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-5541317-A PENICILLIN DERIVATIVES, CYCLIZATION OF ESTERS OR THIOESTERS SANKYO COMPANY, LIMITED (JP) 1996-07-30 US disclosed