SCHEMBL2316474

SCHEMBL2316474

COc1ccccc1CC(=O)NC(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MAPT P10636 3/20 0.55
PKM P14618 1/20 0.55
GAA P10253 1/20 0.54
MME P08473 4/20 0.54
MMEL1 Q495T6 2/20 0.54
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL2316457 1.00 LMNA (0.55) LMNAMAPTPKMGAAMME
SCHEMBL2313433 0.91 MME (0.50) LMNAMAPTPKMGAAMME
SCHEMBL2313448 0.91 MME (0.50) LMNAMAPTPKMGAAMME
SCHEMBL2317282 0.86 MEN1 (0.56) LMNAMAPTMMEMMEL1ALDH1A1
SCHEMBL2317287 0.86 MEN1 (0.56) LMNAMAPTMMEMMEL1ALDH1A1
SCHEMBL2318931 0.85 MME (0.58) LMNAGAAMMEMMEL1ALDH1A1
SCHEMBL2318924 0.85 MME (0.58) LMNAGAAMMEMMEL1ALDH1A1
SCHEMBL2315692 0.84 KMT2A (0.53) LMNAMAPTMMEMMEL1MEN1
SCHEMBL2315703 0.84 KMT2A (0.53) LMNAMAPTMMEMMEL1MEN1
SCHEMBL2315478 0.84 MEN1 (0.70) LMNAMAPTMMEALDH1A1MEN1

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