SCHEMBL1707830

SCHEMBL1707830

COC(=O)C[C@@H]1COc2cc(N(C(=O)C(F)(F)F)C3COc4c(Nc5ccc(C)cc5[N+](=O)[O-])cccc43)ccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
KCNMA1 Q12791 1/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL10008962 0.93 FFAR1 (0.38) FFAR1MAPTKMT2APPARGPPARD
SCHEMBL10008963 0.93 FFAR1 (0.38) FFAR1MAPTKMT2APPARGPPARD
SCHEMBL1708211 0.89 FFAR1 (0.35) FFAR1
SCHEMBL1707796 0.84 FFAR1 (0.36) FFAR1PPARGPPARD
SCHEMBL10009833 0.84 AKR1C3 (0.41) FFAR1PPARGPPARD
SCHEMBL10009839 0.84 AKR1C3 (0.41) FFAR1PPARGPPARD
SCHEMBL10009327 0.83 PPARG (0.36) FFAR1PPARGPPARD
SCHEMBL10009325 0.83 PPARG (0.36) FFAR1PPARGPPARD
SCHEMBL1707831 0.82 NPC1 (0.34) MAPTSMN1; SMN2KMT2AKCNMA1NPC1
SCHEMBL10011798 0.82 FFAR1 (0.40) FFAR1PPARGPPARD

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