SCHEMBL9238802

SCHEMBL9238802

NC(C(=O)O)C(CC(=O)O)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.50
PPARA Q07869 3/20 0.50
FFAR1 O14842 5/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
SLC6A9 P48067 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
MAOB P27338 1/20 0.42
KCNK2 O95069 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KIF11 P52732 2/20 0.41
PPARD Q03181 1/20 0.40
SLC7A5 Q01650 2/20 0.39

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
SCHEMBL9238806 1.00 PPARG (0.50) PPARGPPARAFFAR1SLC1A3SLC1A2
SCHEMBL9241636 0.82 KMT2A (0.44) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL9241640 0.82 KMT2A (0.44) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL9237163 0.81 SMN1; SMN2 (0.43) SLC1A2KIF11
SCHEMBL9237158 0.81 SMN1; SMN2 (0.43) SLC1A2KIF11
SCHEMBL9236830 0.81 PPARG (0.43) PPARGPPARAFFAR1SLC1A3SLC1A2
SCHEMBL9241984 0.81 PPARG (0.47) PPARGPPARAFFAR1SLC1A3SLC1A2
SCHEMBL9236828 0.81 PPARG (0.43) PPARGPPARAFFAR1SLC1A3SLC1A2
SCHEMBL9237136 0.79 CYP1A2 (0.51) PPARGPPARAFFAR1SLC1A3SLC1A2
SCHEMBL9238852 0.79 PPARG (0.50) PPARGPPARAFFAR1KIF11

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
EP-0658539-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1995-06-21 EP disclosed