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Sugi Predict / Compounds / SCHEMBL8017309

SCHEMBL8017309

SCHEMBL8017309

CC(=O)NCCOC(=O)C(O)CN(CC(C)C)C(=O)N[C@@H](Cc1ccc(-c2cccc3ccccc23)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 12/20 0.59
▸ ACE P12821 12/20 0.59
▸ PPARG P37231 5/20 0.40
▸ PPARA Q07869 5/20 0.40
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ ITGB7 P26010 1/20 0.38

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
SCHEMBL8017356 0.94 MME (0.58) MMEACEPPARGPPARA
SCHEMBL8027176 0.90 MME (0.73) MMEACE
SCHEMBL8027268 0.88 MME (0.65) MMEACEPPARGPPARA
SCHEMBL27463258 0.88 MME (0.64) MMEACEPPARGPPARA
SCHEMBL8030383 0.88 MME (0.64) MMEACEPPARGPPARA
SCHEMBL8027076 0.88 MME (0.74) MMEACE
SCHEMBL8027420 0.87 MME (0.77) MMEACEPPARGPPARA
SCHEMBL8032872 0.87 MME (0.64) MMEACE
SCHEMBL8017397 0.87 MME (0.65) MMEACE
SCHEMBL8017966 0.85 MME (0.63) MMEACEPPARGPPARAITGB1

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-0738711-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2000-03-08 — — EP disclosed
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 — — EP disclosed