SCHEMBL18554256

SCHEMBL18554256

CC[C@@H](CC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.44
▸ PPARA Q07869 2/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ MME P08473 12/20 0.43
▸ ACE P12821 12/20 0.43
▸ CPA1 P15085 3/20 0.43
▸ ACE2 Q9BYF1 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ FAAH O00519 1/20 0.41
▸ MGLL Q99685 1/20 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
SCHEMBL28632025 0.85 MME (0.54) MMEACE
SCHEMBL28632027 0.85 MME (0.54) MMEACE
SCHEMBL30300760 0.80 MME (0.41) MMEACEFAAHMGLL
SCHEMBL18554190 0.76 FFAR1 (0.51) MMEACEMEN1KMT2AFAAH
SCHEMBL18576790 0.76 FFAR1 (0.51) MMEACEMEN1KMT2AFAAH
SCHEMBL18576792 0.75 MMEL1 (0.43) MMEMEN1KMT2ACYP1A2FAAH
SCHEMBL18576791 0.75 MMEL1 (0.43) MMEMEN1KMT2ACYP1A2FAAH
SCHEMBL28389111 0.71 MME (0.53) MMEACE
SCHEMBL28412302 0.71 MME (0.53) MMEACE
SCHEMBL16980961 0.69 MMP12 (0.55) PPARGPPARAPPARDMMEACE

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
WO-2017033128-A1 BIPHENYL-SUBSTITUED 4-AMINO-BUTYRIC ACID DERIVATIVES AND THEIR USE IN THE SYNTHESIS OF NEP INHIBITORS NOVARTIS AG (CH) 2017-03-02 — — WO disclosed
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