Isoleucine

Isoleucine

SCHEMBL7440879

CCC(C)[C@H](N)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.52

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 10/20 0.52
DPP4 P27487 9/20 0.52
DPP7 Q9UHL4 8/20 0.52
SLC7A5 Q01650 1/20 0.43
DPP9 Q86TI2 5/20 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
Isoleucine SCHEMBL5575078 1.00 DPP8 (0.52) DPP8DPP4DPP7SLC7A5DPP9
Isoleucine SCHEMBL5575081 1.00 DPP8 (0.52) DPP8DPP4DPP7SLC7A5DPP9
Isoleucine SCHEMBL8868 0.87
Isoleucine SCHEMBL8045737 0.87 SLC7A5 (0.55) DPP8DPP4DPP7SLC7A5DPP9
Isoleucine SCHEMBL5973421 0.87 SLC7A5 (0.55) DPP8DPP4DPP7SLC7A5DPP9
Isoleucine SCHEMBL1255583 0.87 SLC7A5 (0.55) DPP8DPP4DPP7SLC7A5DPP9
Isoleucine SCHEMBL20340795 0.87
Isoleucine SCHEMBL8043620 0.87 SLC7A5 (0.55) DPP8DPP4DPP7SLC7A5DPP9
Isoleucine SCHEMBL8186739 0.87 SLC7A5 (0.55) DPP8DPP4DPP7SLC7A5DPP9
Isoleucine SCHEMBL1255582 0.87 SLC7A5 (0.55) DPP8DPP4DPP7SLC7A5DPP9

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-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed