SCHEMBL2317669

SCHEMBL2317669

O=C(O)C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)Cc1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.69
MME P08473 4/20 0.57
MMEL1 Q495T6 9/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ACE P12821 1/20 0.44

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
SCHEMBL2317674 1.00 FFAR2 (0.69) FFAR2MMEMMEL1MEN1KMT2A
SCHEMBL2320196 1.00 FFAR2 (0.69) FFAR2MMEMMEL1MEN1KMT2A
SCHEMBL2318355 0.88 KMT2A (0.58) FFAR2MMEMMEL1MEN1KMT2A
SCHEMBL2318361 0.88 KMT2A (0.58) FFAR2MMEMMEL1MEN1KMT2A
SCHEMBL2315478 0.88 MEN1 (0.70) FFAR2MMEMEN1KMT2ALMNA
SCHEMBL2315245 0.88 FFAR2 (0.79) FFAR2MMEMMEL1ACE
SCHEMBL2315472 0.88 MEN1 (0.70) FFAR2MMEMEN1KMT2ALMNA
SCHEMBL2315240 0.88 FFAR2 (0.79) FFAR2MMEMMEL1ACE
SCHEMBL2315341 0.88 FFAR2 (0.79) FFAR2MMEMMEL1ACE
SCHEMBL2312027 0.87 MEN1 (0.57) FFAR2MMEMEN1KMT2ALMNA

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