SCHEMBL3625795

SCHEMBL3625795

O=C1CC[C@H](N2CC[C@@H](NC(=O)OCc3ccccc3)C2=O)[C@H](C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
CASP3 P42574 2/20 0.45
CASP1 P29466 3/20 0.44
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
NAAA Q02083 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL2344340 1.00 PREP (0.46) PREPALDH1A1GAACASP3CASP1
SCHEMBL2344349 1.00 PREP (0.46) PREPALDH1A1GAACASP3CASP1
SCHEMBL3736228 0.91 CPB1 (0.50) PREPALDH1A1GAACASP3CASP1
SCHEMBL3736224 0.91 CPB1 (0.50) PREPALDH1A1GAACASP3CASP1
SCHEMBL3736230 0.91 CPB1 (0.50) PREPALDH1A1GAACASP3CASP1
SCHEMBL13411397 0.89 PREP (0.43) PREPGAACASP3CASP1CTSK
SCHEMBL1841237 0.89 PREP (0.43) PREPGAACASP3CASP1CTSK
SCHEMBL13446212 0.88 CASP3 (0.45) PREPALDH1A1GAACASP3CASP1
SCHEMBL14313605 0.87 CASP3 (0.50) PREPALDH1A1GAACASP3CASP1
SCHEMBL3250376 0.87 CASP3 (0.47) PREPALDH1A1GAACASP3CASP1

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-2184283-A1 Process for preparing compounds useful as intermediates for the preparation of modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2010-05-12 EP disclosed