SCHEMBL8038860

SCHEMBL8038860

C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3ccccc3)[C@H](C)[C@H]12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
CACNA1C Q13936 1/20 0.33
ELANE P08246 1/20 0.32
ABCC2 Q92887 1/20 0.32
FAP Q12884 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
SCHEMBL9834843 1.00 ESR1 (0.37) ESR1PTGS1PDE4ACACNA1CELANE
SCHEMBL10862431 0.90 FAP (0.32) ESR1PTGS1PDE4AELANEFAP
SCHEMBL9428111 0.86 ELANE (0.36) ESR1PTGS1PDE4ACACNA1CELANE
SCHEMBL9428941 0.86 CACNA1C (0.36) ESR1PTGS1PDE4ACACNA1CFAP
SCHEMBL9427855 0.86 CACNA1C (0.36) ESR1PTGS1PDE4ACACNA1CFAP
SCHEMBL8046007 0.83 CACNA1C (0.36) ESR1PTGS1PDE4ACACNA1CELANE
SCHEMBL8042490 0.82 HTT (0.38) ESR1PTGS1PDE4A
SCHEMBL10862713 0.82 PLCG1 (0.40) ELANE
SCHEMBL10865984 0.82 PLCG1 (0.40) ELANE
SCHEMBL10862718 0.82 PLCG1 (0.40) 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 6 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
US-5306816-A Processes for preparing carbapenem derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 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
EP-0499196-A1 Intermediates and process for preparing carbapenem derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-19 EP disclosed