SCHEMBL5200673

SCHEMBL5200673

O=C1CC[C@@H](NC(=O)OCc2ccccc2)C(=O)N1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 9/20 0.60
DDB1 Q16531 5/20 0.60
NAAA Q02083 5/20 0.56
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.50
ASAH1 Q13510 1/20 0.48
IKZF3 Q9UKT9 1/20 0.48
CTSL P07711 1/20 0.47

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
SCHEMBL3544056 1.00 CRBN (0.60) CRBNDDB1NAAAALDH1A1GAA
SCHEMBL632914 1.00 CRBN (0.60) CRBNDDB1NAAAALDH1A1GAA
SCHEMBL1903249 0.90 CRBN (0.53) CRBNDDB1NAAAALDH1A1GAA
SCHEMBL5180974 0.87 NAAA (0.58) NAAAALDH1A1GAATSHRASAH1
SCHEMBL3930648 0.87 NAAA (0.58) NAAAALDH1A1GAATSHRASAH1
SCHEMBL765661 0.87 NAAA (0.58) NAAAALDH1A1GAATSHRASAH1
SCHEMBL19207870 0.85 RIPK1 (0.57) NAAAALDH1A1GAATSHR
SCHEMBL1976229 0.85 RIPK1 (0.57) NAAAALDH1A1GAATSHR
SCHEMBL7426649 0.85 RIPK1 (0.57) NAAAALDH1A1GAATSHR
SCHEMBL425375 0.82 ALDH1A1 (0.58) NAAAALDH1A1GAATSHRCTSL

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-1353672-B1 SYNTHESIS OF 4-AMINO-THALIDOMIDE ENANTIOMERS CHILDRENS MEDICAL CENTER (US) 2007-10-03 EP claimed
WO-2004022536-A1 NEW HETEROCYCLIC AMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (US) 2004-03-18 WO disclosed
WO-2004022536-A1 NEW HETEROCYCLIC AMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (US) 2004-03-18 WO disclosed