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Sugi Predict / Compounds / SCHEMBL8304069

SCHEMBL8304069

SCHEMBL8304069

CCS(=O)(=O)C1=C(C(=O)O)N2C(=O)[C@H](C(C)O[Si](C)(C)C(C)(C)C)[C@H]2S1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ ELANE P08246 8/20 0.33

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
SCHEMBL8133240 0.82 ELANE (0.40) MEN1KMT2APTGS1ELANE
SCHEMBL7831926 0.82 ELANE (0.40) MEN1KMT2APTGS1ELANE
SCHEMBL8759627 0.81 MEN1 (0.39) MEN1KMT2APTGS1ELANE
SCHEMBL10802906 0.81 MEN1 (0.39) MEN1KMT2APTGS1ELANE
SCHEMBL8759130 0.81 ELANE (0.49) MEN1KMT2APTGS1ELANE
SCHEMBL10366328 0.81 ELANE (0.49) MEN1KMT2APTGS1ELANE
SCHEMBL7565158 0.81 ELANE (0.41) MEN1KMT2APTGS1ELANE
SCHEMBL8759819 0.80 MEN1 (0.38) MEN1KMT2APTGS1ELANE
SCHEMBL21643703 0.80 ELANE (0.41) MEN1KMT2APTGS1ELANE
SCHEMBL21643704 0.80 ELANE (0.41) MEN1KMT2APTGS1ELANE

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-0592167-B1 Antibiotic pyrrolidinylthiopenem derivatives ZENECA LTD (GB) 1999-12-22 — — EP disclosed
US-5538962-A PENICILLINS ZENECA LIMITED (GB) 1996-07-23 — — US disclosed
EP-0592167-A1 Antibiotic pyrrolidinylthiopenem derivatives ZENECA LIMITED (GB) 1994-04-13 — — EP disclosed