SCHEMBL28632027

SCHEMBL28632027

CC(CC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 13/20 0.54
▸ ACE P12821 9/20 0.54
▸ MMEL1 Q495T6 4/20 0.49

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
SCHEMBL28632025 1.00 MME (0.54) MMEACEMMEL1
SCHEMBL30300760 0.87 MME (0.41) MMEACE
SCHEMBL28412302 0.86 MME (0.53) MMEACEMMEL1
SCHEMBL28389111 0.86 MME (0.53) MMEACEMMEL1
SCHEMBL18554256 0.85 PPARG (0.44) MMEACE
SCHEMBL28389112 0.80 MME (0.50) MMEACEMMEL1
SCHEMBL18554190 0.78 FFAR1 (0.51) MMEACEMMEL1
SCHEMBL18576790 0.78 FFAR1 (0.51) MMEACEMMEL1
SCHEMBL16948243 0.76 MME (0.63) MMEACEMMEL1
SCHEMBL7507834 0.76 MME (0.63) MMEACEMMEL1

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-113387829-A Preparation method of shakubiqu 凯特立斯(深圳)科技有限公司 2021-09-14 — — CN disclosed
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