SCHEMBL1743844

SCHEMBL1743844

CC=CC(c1ccc(C(F)(F)F)cc1)[C@@H](CO)N(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
APP P05067 1/20 0.34
EEF2K O00418 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
SLC6A9 P48067 1/20 0.33
CNR2 P34972 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
PPARG P37231 1/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33

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
SCHEMBL2549587 1.00 FFAR1 (0.34) FFAR1AKR1C3AKR1C2APPEEF2K
SCHEMBL1594705 1.00 FFAR1 (0.34) FFAR1AKR1C3AKR1C2APPEEF2K
SCHEMBL1594707 1.00 FFAR1 (0.34) FFAR1AKR1C3AKR1C2APPEEF2K
SCHEMBL1595344 0.83 FFAR1 (0.32) FFAR1EEF2KSLC6A9UTS2RPPARG
SCHEMBL1595345 0.83 FFAR1 (0.32) FFAR1EEF2KSLC6A9UTS2RPPARG
SCHEMBL2547936 0.83 FFAR1 (0.32) FFAR1EEF2KSLC6A9UTS2RPPARG
SCHEMBL2547934 0.83 FFAR1 (0.32) FFAR1EEF2KSLC6A9UTS2RPPARG
SCHEMBL1595011 0.81 AKR1C3 (0.40) FFAR1AKR1C3AKR1C2APPEEF2K
SCHEMBL1595880 0.78 AKR1C3 (0.39) FFAR1AKR1C3AKR1C2EEF2KCES2
SCHEMBL1742950 0.77 CES2 (0.37) FFAR1AKR1C3AKR1C2EEF2KCES2

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-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed