SCHEMBL2313004

SCHEMBL2313004

O=C(O)CC(Cc1ccc([N+](=O)[O-])cc1)NC(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.51
MMEL1 Q495T6 5/20 0.51
FFAR2 O15552 1/20 0.49
LMNA P02545 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
GLA P06280 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2312992 1.00 MME (0.51) MMEMMEL1FFAR2LMNANPC1
SCHEMBL2312968 0.89 MME (0.60) MMEMMEL1FFAR2MEN1KMT2A
SCHEMBL2312962 0.89 MME (0.60) MMEMMEL1FFAR2MEN1KMT2A
SCHEMBL2315703 0.87 KMT2A (0.53) MMEMMEL1FFAR2LMNANPC1
SCHEMBL2315692 0.87 KMT2A (0.53) MMEMMEL1FFAR2LMNANPC1
SCHEMBL2318355 0.87 KMT2A (0.58) MMEMMEL1FFAR2LMNAMEN1
SCHEMBL2318361 0.87 KMT2A (0.58) MMEMMEL1FFAR2LMNAMEN1
SCHEMBL2315641 0.84 MME (0.54) MMEMMEL1FFAR2LMNAMEN1
SCHEMBL2315652 0.84 MME (0.54) MMEMMEL1FFAR2LMNAMEN1
SCHEMBL2320196 0.84 FFAR2 (0.69) MMEMMEL1FFAR2LMNAMEN1

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