SCHEMBL8451369

SCHEMBL8451369

CC(C)CN(CC(O)C(=O)O)C(=O)NC(C(=O)O)c1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 8/20 0.61
▸ ACE P12821 8/20 0.61
▸ PPARG P37231 6/20 0.44
▸ PPARA Q07869 6/20 0.44
▸ NTSR1 P30989 2/20 0.40
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 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
SCHEMBL8027308 1.00 MME (0.61) MMEACEPPARGPPARANTSR1
SCHEMBL8522441 0.89 MME (0.54) MMEACEPPARGPPARA
SCHEMBL8033023 0.89 MME (0.54) MMEACEPPARGPPARA
SCHEMBL8448688 0.86 MME (0.69) MMEACE
SCHEMBL8028819 0.86 MME (0.69) MMEACE
SCHEMBL8028822 0.86 MME (0.69) MMEACE
SCHEMBL27444746 0.86 MME (0.56) MMEACEPPARGPPARANTSR1
SCHEMBL27464918 0.85 MME (0.48) MMEACEPPARGPPARA
SCHEMBL8027420 0.84 MME (0.77) MMEACEPPARGPPARANTSR1
SCHEMBL8030181 0.84 MME (0.61) MMEACE

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
US-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 — — US disclosed
CN-1138321-A 1, 3-dialkyl urea derivative with hydrocarbon group SANTAN PHARMACEUTICAL CO LTD (JP) 1996-12-18 — — CN disclosed
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