Sugi Predict

Sugi Predict / Compounds / SCHEMBL1708211

SCHEMBL1708211

SCHEMBL1708211

COC(=O)C[C@@H]1COc2cc(N(C(=O)C(F)(F)F)C3COc4c(Nc5cc(F)ccc5[N+](=O)[O-])cccc43)ccc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 18/20 0.35
▸ AKR1B10 O60218 1/20 0.31
▸ AKR1B1 P15121 1/20 0.31
▸ AKR1C4 P17516 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL10011668 0.92 PPARG (0.35) FFAR1AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL10010677 0.92 PPARG (0.35) FFAR1AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL10010671 0.92 PPARG (0.35) FFAR1AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL10011672 0.92 PPARG (0.35) FFAR1AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL1707830 0.89 FFAR1 (0.34) FFAR1
SCHEMBL10009833 0.88 AKR1C3 (0.41) FFAR1AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL10009839 0.88 AKR1C3 (0.41) FFAR1AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL1707754 0.86 AKR1B1 (0.31) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL10009327 0.85 PPARG (0.36) FFAR1
SCHEMBL10009325 0.85 PPARG (0.36) FFAR1

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-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 — — EP disclosed