SCHEMBL8038866

SCHEMBL8038866

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ELANE P08246 1/20 0.32
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC29A1 Q99808 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
SCHEMBL11590192 0.82 KDM4E (0.43) KDM4ELMNAELANEESR1CHRM1
SCHEMBL11107828 0.82 KDM4E (0.43) KDM4ELMNAELANEESR1CHRM1
SCHEMBL8835026 0.82 KDM4E (0.39) KDM4ELMNAELANEESR1CHRM1
SCHEMBL8039606 0.79 ELANE (0.32) ELANEESR1
SCHEMBL8976102 0.79 ELANE (0.32) ELANEESR1
SCHEMBL9428729 0.77 KDM4E (0.42) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL10390092 0.76 ELANE (0.33) KDM4ELMNAELANEESR1CHRM1
Ethyl Acetate SCHEMBL11262607 0.76 KDM4E (0.39) KDM4ELMNAELANEESR1CHRM1
SCHEMBL9318537 0.72 KDM4E (0.33) KDM4ELMNAELANEESR1CHRM1
SCHEMBL9317033 0.72 PTGDR2 (0.34) KDM4ELMNAELANEKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587436-B1 Process for preparing carbapenem and penem compounds and new compounds involved in that process SANKYO CO (JP) 2000-05-10 EP disclosed
US-5614624-A THIO SUBSTITUTED, ANTIBIOTICS, CHEMICAL INTERMEDIATES SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
US-5541317-A PENICILLIN DERIVATIVES, CYCLIZATION OF ESTERS OR THIOESTERS SANKYO COMPANY, LIMITED (JP) 1996-07-30 US disclosed
EP-0587436-A1 Process for preparing carbapenem and penem compounds and new compounds involved in that process SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed