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SCHEMBL9852256

SCHEMBL9852256

C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3ccccn3)[C@H](CCCCO)[C@H]12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.30
▸ CTRB1 P17538 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
SCHEMBL9852176 0.98 ELANE (0.30) ELANECTRB1
SCHEMBL9852086 0.95 CTRB1 (0.31) ELANECTRB1
SCHEMBL9852028 0.86 ESR1 (0.34) ELANECTRB1
SCHEMBL9852195 0.84 ESR1 (0.34) ELANECTRB1
SCHEMBL8865516 0.80 ESR1 (0.35) ELANECTRB1
SCHEMBL9852070 0.80 — —
SCHEMBL9852200 0.79 CACNA1C (0.34) ELANECTRB1
SCHEMBL9852099 0.78 CACNA1C (0.34) ELANECTRB1
SCHEMBL9852168 0.77 ESR1 (0.35) ELANECTRB1
SCHEMBL9852139 0.77 ELANE (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433759-A1 4-Substituted alkyl carbapenem antibiotics Bristol-Myers Squibb Company (US) 1991-06-26 — — EP disclosed