SCHEMBL27644362

SCHEMBL27644362

CCC(Cc1ccccc1F)CC(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
RIPK1 Q13546 2/20 0.38
APAF1 O14727 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACE P12821 7/20 0.37
MME P08473 6/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 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
SCHEMBL20322838 0.82 KDM4E (0.51) PPARGPPARAALDH1A1KDM4EAPAF1
SCHEMBL6443526 0.82 KDM4E (0.51) PPARGPPARAALDH1A1KDM4EAPAF1
SCHEMBL4994011 0.82 PPARG (0.40) PPARGPPARAALDH1A1KDM4ERIPK1
SCHEMBL4987788 0.82 PPARG (0.40) PPARGPPARAALDH1A1KDM4ERIPK1
SCHEMBL27505056 0.77 PPARG (0.46) PPARGPPARAALDH1A1KDM4EAPAF1
SCHEMBL14885334 0.76 PPARG (0.49) PPARGPPARAALDH1A1KDM4ERIPK1
SCHEMBL27644896 0.76 TAAR1 (0.39) PPARGPPARAALDH1A1RIPK1L3MBTL1
SCHEMBL27665604 0.76 KMT2A (0.45) PPARGPPARAACEMMEKMT2A
SCHEMBL11737506 0.74 PPARG (0.49) PPARGPPARAALDH1A1KDM4ERIPK1
SCHEMBL27665679 0.74 SLC1A1 (0.51) PPARGPPARAALDH1A1RIPK1MEN1

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