SCHEMBL27563079

SCHEMBL27563079

CN[C@@H](Cc1ccccc1)C(=O)NCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.61
▸ MME P08473 1/20 0.61
▸ MMEL1 Q495T6 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL27563081 1.00 ACE (0.61) ACEMMEMMEL1L3MBTL1CYP3A4
SCHEMBL13073495 0.86 KMT2A (0.58) L3MBTL1CYP3A4TSHR
SCHEMBL22175312 0.86 CYP3A4 (0.68) L3MBTL1CYP3A4TSHR
SCHEMBL23154817 0.86 L3MBTL1 (0.65) L3MBTL1CYP3A4TSHR
SCHEMBL23154816 0.86 L3MBTL1 (0.65) L3MBTL1CYP3A4TSHR
SCHEMBL23154665 0.86 L3MBTL1 (0.65) L3MBTL1CYP3A4TSHR
SCHEMBL16254367 0.86 KMT2A (0.58) L3MBTL1CYP3A4TSHR
SCHEMBL12126314 0.84 ACE (0.60) ACEMME
SCHEMBL5603448 0.84 ACE (0.59) ACEMMEMMEL1
SCHEMBL3678979 0.84 ACE (0.59) ACEMMEMMEL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1315858-A Novel remedies for allergic diseases FUJI YAKUHIN KOGYO KK (JP) 2001-10-03 — — CN disclosed
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