SCHEMBL12829169

SCHEMBL12829169

CCCC[C@H](N)CC(=O)N[C@H](CC(=O)OC)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.52
▸ CNR2 P34972 2/20 0.45
▸ BIRC2 Q13490 1/20 0.43
▸ CTSK P43235 6/20 0.43
▸ CTSL P07711 3/20 0.43
▸ CTSB P07858 3/20 0.43
▸ CTSH P09668 2/20 0.43
▸ MME P08473 1/20 0.40

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
SCHEMBL2632987 0.82 REN (0.48) RENCNR2BIRC2CTSKCTSL
SCHEMBL13744623 0.80 MME (0.54) MME
SCHEMBL13825642 0.79 ALDH1A1 (0.52) CNR2CTSLCTSBMME
SCHEMBL4237428 0.77 MMEL1 (0.48) MME
SCHEMBL13825640 0.76 MME (0.50) MME
SCHEMBL14392786 0.76 CTRB1 (0.53) RENCTSK
SCHEMBL14611003 0.76 CTRB1 (0.53) RENCTSK
SCHEMBL12228016 0.74 CYP3A4 (0.47) —
SCHEMBL27846893 0.74 EPHX1 (0.53) —
SCHEMBL6343323 0.74 EPHX1 (0.53) —

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-2289887-A2 Epoxycarboxylic acid amides, azides and amino alcohols and processes for preparation of alpha-keto amides by using them SEIKAGAKU CORPORATION (JP) 2011-03-02 — — EP disclosed
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