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Sugi Predict / Compounds / SCHEMBL2341992

SCHEMBL2341992

SCHEMBL2341992

O=C(O)O[C@@H]1CC2(CC[C@@H]1N1CC[C@H](NC(=O)OCc3ccccc3)C1=O)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.41
▸ PREP P48147 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GPR55 Q9Y2T6 2/20 0.39
▸ CTSK P43235 5/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CTSB P07858 3/20 0.38
▸ CTSS P25774 2/20 0.38
▸ CTSL P07711 1/20 0.38

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
SCHEMBL1841848 0.88 CASP3 (0.44) CASP3PREPCTSKCASP1CTSB
SCHEMBL12156504 0.88 CASP3 (0.44) CASP3PREPCTSKCASP1CTSB
SCHEMBL2786342 0.88 CASP3 (0.44) CASP3PREPCTSKCASP1CTSB
SCHEMBL12156505 0.86 CASP3 (0.42) CASP3PREPMEN1KMT2AGPR55
SCHEMBL13600773 0.86 CASP3 (0.42) CASP3PREPMEN1KMT2AGPR55
SCHEMBL3744158 0.85 CASP3 (0.45) CASP3PREPCTSKCASP1CTSB
SCHEMBL1842398 0.84 CASP3 (0.41) CASP3PREPMEN1KMT2AGPR55
SCHEMBL12156507 0.84 PREP (0.40) CASP3PREPCTSKCASP1CTSB
SCHEMBL13411399 0.84 CASP3 (0.41) CASP3PREPMEN1KMT2AGPR55
SCHEMBL13600774 0.84 PREP (0.40) CASP3PREPCTSKCASP1CTSB

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-2194051-B1 Process for preparing compounds useful as intermediates for the preparation of modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2011-08-31 — — EP claimed