SCHEMBL9507478

SCHEMBL9507478

COCC(=O)N(c1c(C)cc(C)cc1C)C(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NLRP3 Q96P20 1/20 0.34
PLA2G1B P04054 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
GRM5 P41594 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
SLC7A5 Q01650 1/20 0.32

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
SCHEMBL9507474 1.00 MEN1 (0.36) MEN1KMT2ATHRBALDH1A1NLRP3
SCHEMBL28250496 0.86 KMT2A (0.36) MEN1KMT2AGRM5SLC7A5
SCHEMBL11520993 0.86 MEN1 (0.43) MEN1KMT2ATHRBALDH1A1NLRP3
SCHEMBL4431633 0.86 MEN1 (0.46) MEN1KMT2ATHRBALDH1A1PLA2G1B
SCHEMBL6051040 0.86 MEN1 (0.46) MEN1KMT2ATHRBALDH1A1PLA2G1B
SCHEMBL28192253 0.86 KMT2A (0.36) MEN1KMT2AGRM5SLC7A5
SCHEMBL28192256 0.86 KMT2A (0.36) MEN1KMT2AGRM5SLC7A5
SCHEMBL5792664 0.86 MEN1 (0.46) MEN1KMT2ATHRBALDH1A1PLA2G1B
Methoxymethane SCHEMBL10790771 0.85 MEN1 (0.45) MEN1KMT2ATHRBALDH1A1NLRP3
Methoxymethane SCHEMBL10790777 0.85 MEN1 (0.45) MEN1KMT2ATHRBALDH1A1NLRP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423282-B1 PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE-METHYLESTER DERIVATIVES NITRO-KEMIA IPARTELEPEK (HU) 1993-08-04 EP disclosed
EP-0423282-A1 PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE-METHYLESTER DERIVATIVES. NITRO KEMIA IPARTELEPEK (HU) 1991-04-24 EP disclosed
WO-1990012783-A1 PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE-METHYLESTER DERIVATIVES NITROKÉMIA IPARTELEPEK (HU) 1990-11-01 WO disclosed