SCHEMBL2316296

SCHEMBL2316296

O=C(O)CC(Cc1ccc([N+](=O)[O-])cc1)NC(=O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FFAR2 O15552 1/20 0.48
PSMB5 P28074 1/20 0.43
LMNA P02545 2/20 0.42
EPHX2 P34913 3/20 0.41
PPARG P37231 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2316287 1.00 MME (0.54) MMEMEN1KMT2AFFAR2PSMB5
SCHEMBL2312174 0.86 FFAR2 (0.64) MMEFFAR2PSMB5EPHX2PPARG
SCHEMBL2312167 0.86 FFAR2 (0.64) MMEFFAR2PSMB5EPHX2PPARG
SCHEMBL2316507 0.85 FFAR2 (0.60) MMEFFAR2PSMB5EPHX2PPARG
SCHEMBL2316497 0.85 FFAR2 (0.60) MMEFFAR2PSMB5EPHX2PPARG
SCHEMBL2315703 0.84 KMT2A (0.53) MMEMEN1KMT2AFFAR2LMNA
SCHEMBL2317287 0.84 MEN1 (0.56) MMEMEN1KMT2AFFAR2LMNA
SCHEMBL2317282 0.84 MEN1 (0.56) MMEMEN1KMT2AFFAR2LMNA
SCHEMBL2315692 0.84 KMT2A (0.53) MMEMEN1KMT2AFFAR2LMNA
SCHEMBL2315472 0.84 MEN1 (0.70) MMEMEN1KMT2AFFAR2LMNA

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
WO-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO claimed