SCHEMBL9505895

SCHEMBL9505895

CCc1ccccc1N(OC)C(C)(C(C)=O)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CTRB1 P17538 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
PTGER1 P34995 1/20 0.33
SRC P12931 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL9508170 0.78 KCNN4 (0.43) KCNN4NR1H2NR1H3CTRB1MAPT
SCHEMBL9173504 0.72 MEN1 (0.35) KCNN4LMNAALDH1A1MAPTHTT
SCHEMBL10596502 0.72 MEN1 (0.35) KCNN4LMNAALDH1A1MAPTHTT
SCHEMBL10061323 0.68 PTGER1 (0.37) LMNAALDH1A1MAPTHTTPOLB
SCHEMBL8652902 0.66 MGLL (0.39) LMNAMAPTPOLBPTGER1GABRA1
SCHEMBL9714755 0.66 RIPK1 (0.37) LMNAALDH1A1POLBPTGER1GABRA1
SCHEMBL9507537 0.65 MEN1 (0.39) KCNN4ALDH1A1
SCHEMBL2372910 0.65 LMNA (0.56) LMNAALDH1A1MAPTGABRA1GABRB2
SCHEMBL28261500 0.64 TSHR (0.41) LMNAALDH1A1MAPTHTTPOLB
SCHEMBL11386037 0.64 LMNA (0.33) LMNAALDH1A1HTTPOLBPTGER1

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