SCHEMBL11567871

SCHEMBL11567871

CCCCOC(=O)N[C@@H](CCSC)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ITGB3 P05106 4/20 0.35
▸ ITGA2B P08514 4/20 0.35
▸ HRH3 Q9Y5N1 5/20 0.34
▸ HRH4 Q9H3N8 3/20 0.34
▸ PPID Q08752 1/20 0.34

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
SCHEMBL8618495 0.89 CTSK (0.38) L3MBTL1MAPTHPGDITGB3ITGA2B
SCHEMBL5874939 0.84 TLR2 (0.40) ITGB3ITGA2BHRH3
SCHEMBL5880046 0.83 TAS1R3 (0.39) L3MBTL1MAPTHPGD
SCHEMBL13927678 0.81 CTSS (0.51) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL8614577 0.81 CTSS (0.51) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL11154653 0.80 L3MBTL1 (0.50) L3MBTL1ALDH1A1GAATSHRCASP1
SCHEMBL11154650 0.80 L3MBTL1 (0.50) L3MBTL1ALDH1A1GAATSHRCASP1
SCHEMBL7320186 0.79 SMN1; SMN2 (0.40) L3MBTL1MAPTHPGDHRH3HRH4
SCHEMBL30368497 0.79 CA1 (0.51) TSHRCASP1
SCHEMBL17995308 0.79 ALDH1A1 (0.36) L3MBTL1ALDH1A1GAAKDM4EGLA

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-0002822-A1 Phosphorus containing peptide derivatives, their production, intermediates for their production and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-11 — — EP disclosed
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