SCHEMBL27644256

SCHEMBL27644256

CCC(CCC(C)(N)C(=O)O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.44
PPARG P37231 4/20 0.44
EPHX2 P34913 2/20 0.44
GRB2 P62993 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
BLM P54132 2/20 0.38
SLC6A9 P48067 1/20 0.38
REN P00797 2/20 0.38
DPP4 P27487 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
PPARD Q03181 2/20 0.36
SRD5A2 P31213 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL27644166 0.89 HRH3 (0.40) PPARAPPARGEPHX2HRH3BLM
SCHEMBL27644563 0.88 PPARA (0.46) PPARAPPARGEPHX2GRB2HRH3
SCHEMBL27644381 0.85 HTR2A (0.49) PPARAPPARGDPP4MEN1USP2
SCHEMBL27644420 0.85 SMN1; SMN2 (0.40) BLMACEKDM4EMEN1USP2
SCHEMBL27665810 0.84 GRB2 (0.43) PPARAPPARGEPHX2GRB2BLM
SCHEMBL27644318 0.80 MMP2 (0.41) PPARAPPARGEPHX2HRH3BLM
SCHEMBL27644752 0.79 GRM8 (0.41) PPARAHRH3SLC6A9DPP4
SCHEMBL27644051 0.78 TAAR1 (0.41) PPARAPPARGBLMPPARDMEN1
SCHEMBL27665386 0.78 PPARA (0.42) PPARAPPARGEPHX2HRH3BLM
SCHEMBL4993849 0.77 PPARA (0.55) PPARAPPARGEPHX2PPARD

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
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN claimed
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN disclosed