SCHEMBL2313448

SCHEMBL2313448

COc1cccc(CC(=O)NC(CC(=O)O)Cc2ccc([N+](=O)[O-])cc2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.50
MMEL1 Q495T6 3/20 0.49
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.45
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43

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
SCHEMBL2313433 1.00 MME (0.50) MMEMMEL1ALDH1A1KMT2AMEN1
SCHEMBL2316457 0.91 LMNA (0.55) MMEMMEL1ALDH1A1KMT2AMEN1
SCHEMBL2316474 0.91 LMNA (0.55) MMEMMEL1ALDH1A1KMT2AMEN1
SCHEMBL2314751 0.87 MME (0.53) MMEMMEL1ALDH1A1KMT2AMEN1
SCHEMBL2314748 0.87 MME (0.53) MMEMMEL1ALDH1A1KMT2AMEN1
SCHEMBL2319559 0.83 MME (0.50) MMEMMEL1ALDH1A1KMT2AITGB1
SCHEMBL2319566 0.83 MME (0.50) MMEMMEL1ALDH1A1KMT2AITGB1
SCHEMBL2317015 0.82 MME (0.51) MMEMMEL1KMT2AMEN1ITGB1
SCHEMBL2317022 0.82 MME (0.51) MMEMMEL1KMT2AMEN1ITGB1
SCHEMBL2317287 0.82 MEN1 (0.56) MMEMMEL1ALDH1A1KMT2AMEN1

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