SCHEMBL11298162

SCHEMBL11298162

CCC[C@H](NC(=O)CNC)C(=O)N[C@@H](CCC)C(=O)NCP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.38
S1PR2 O95136 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
S1PR4 O95977 4/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
LPAR3 Q9UBY5 4/20 0.34
FDPS P14324 1/20 0.33
LPAR1 Q92633 3/20 0.32
MMP1 P03956 1/20 0.31
NMT2 O60551 1/20 0.30
NMT1 P30419 1/20 0.30

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
SCHEMBL11300971 0.84 S1PR2 (0.36) FPR2S1PR2S1PR1S1PR3S1PR4
SCHEMBL11306079 0.83 MMP1 (0.34) FPR2S1PR2S1PR1S1PR3S1PR4
SCHEMBL11303147 0.81 S1PR2 (0.33) FPR2S1PR2S1PR1S1PR3S1PR4
SCHEMBL11302281 0.78 REN (0.34) S1PR2S1PR1S1PR3S1PR4FDPS
SCHEMBL11306896 0.78 S1PR2 (0.33) FPR2S1PR2S1PR1S1PR3S1PR4
SCHEMBL11298731 0.78 S1PR2 (0.33) S1PR2S1PR1S1PR3S1PR4FDPS
SCHEMBL11298205 0.78 DPP7 (0.43) FPR2CTSSCTSKFDPS
SCHEMBL17323294 0.77 CTSS (0.37) FPR2CTSSCTSK
SCHEMBL11296863 0.76 ENPEP (0.34) S1PR2S1PR1S1PR3S1PR4MMP1
SCHEMBL11304056 0.76 ENPEP (0.35) S1PR2S1PR1S1PR3S1PR4

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 5 patents. 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 claimed
EP-0002822-B1 PHOSPHORUS CONTAINING PEPTIDE DERIVATIVES, THEIR PRODUCTION, INTERMEDIATES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-07-28 EP disclosed
EP-0026409-A1 Combinations of active ingredients, pharmaceutical preparations, as well as their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-08 EP disclosed
US-4250085-A PHOSPHONATE-CONTAINING OLIGOPEPTIDES, BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1981-02-10 US disclosed
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