SCHEMBL11301725

SCHEMBL11301725

CCCCCC(N)C(=O)N(C(=O)[C@@H](N)CCC)[C@@H](C)P(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LAP3 P28838 2/20 0.49
▸ S1PR2 O95136 5/20 0.44
▸ S1PR1 P21453 5/20 0.44
▸ S1PR3 Q99500 5/20 0.44
▸ S1PR4 O95977 4/20 0.44
▸ FDPS P14324 4/20 0.43
▸ METAP1 P53582 1/20 0.41

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
SCHEMBL11300949 0.72 BHMT (0.33) METAP1
SCHEMBL30312063 0.70 GRIK1 (0.49) LAP3
SCHEMBL18251513 0.67 GRIK1 (0.43) LAP3
SCHEMBL7814294 0.67 LAP3 (1.00) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL625939 0.67 LAP3 (1.00) LAP3S1PR2S1PR1S1PR3S1PR4
Tuaminoheptane SCHEMBL28624951 0.67 OPRM1 (0.73) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL30759342 0.66 DPP7 (0.46) METAP1
Phosphoric Acid SCHEMBL17455469 0.66 LAP3 (0.52) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL7795517 0.66 LAP3 (0.52) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL1060233 0.65 LAP3 (1.00) LAP3S1PR2S1PR1S1PR3S1PR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026867-A1 Peptidylphosphonic acids, their preparation and use, and pharmaceutical preparations containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-15 — — EP claimed
EP-0026867-A1 Peptidylphosphonic acids, their preparation and use, and pharmaceutical preparations containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-15 — — EP disclosed
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