SCHEMBL8622032

SCHEMBL8622032

COCC(=O)N(c1ccccc1)C(C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
PLA2G1B P04054 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL8622030 1.00 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2TP53KMT2A
SCHEMBL8891916 0.88 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2TP53KMT2A
SCHEMBL8891911 0.88 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2TP53KMT2A
SCHEMBL9751775 0.85 HPGD (0.49) ALDH1A1LMNASMN1; SMN2TP53KMT2A
SCHEMBL8153694 0.81 KMT2A (0.50) ALDH1A1LMNASMN1; SMN2TP53KMT2A
SCHEMBL27373933 0.81 KMT2A (0.50) ALDH1A1LMNASMN1; SMN2TP53KMT2A
Metalaxyl SCHEMBL55820 0.81 KMT2A (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1PLA2G1B
Mefenoxam SCHEMBL22529 0.81 KMT2A (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1PLA2G1B
Metalaxyl SCHEMBL5070290 0.81 KMT2A (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1PLA2G1B
Metalaxyl SCHEMBL8817105 0.81 KMT2A (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639905-A REACTING N-METHOXYACETYL DERIVATIVE WITH ALKALI METAL ALKOXIDE, REACTING THE METAL SALT WITH METHYL HALOPROPIONATE NITROKEMIA IPARTELEPEK (HU) 1997-06-17 US claimed
EP-0643687-A1 IMPROVED PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE METHYL ESTER DERIVATIVES NITROKEMIA IPARTELEPEK (HU) 1995-03-22 EP claimed
WO-1993020041-A1 IMPROVED PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE METHYL ESTER DERIVATIVES NITROKÉMIA IPARTELEPEK (HU) 1993-10-14 WO claimed
EP-0423282-B1 PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE-METHYLESTER DERIVATIVES NITRO-KEMIA IPARTELEPEK (HU) 1993-08-04 EP claimed
EP-0423282-A1 PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE-METHYLESTER DERIVATIVES. NITRO KEMIA IPARTELEPEK (HU) 1991-04-24 EP claimed
WO-1990012783-A1 PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE-METHYLESTER DERIVATIVES NITROKÉMIA IPARTELEPEK (HU) 1990-11-01 WO claimed
EP-0643687-B1 IMPROVED PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE METHYL ESTER DERIVATIVES NITROKEMIA IPARTELEPEK (HU) 1998-06-10 EP disclosed
EP-0643687-B1 IMPROVED PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE METHYL ESTER DERIVATIVES NITROKEMIA IPARTELEPEK (HU) 1998-06-10 EP disclosed
US-5639905-A REACTING N-METHOXYACETYL DERIVATIVE WITH ALKALI METAL ALKOXIDE, REACTING THE METAL SALT WITH METHYL HALOPROPIONATE NITROKEMIA IPARTELEPEK (HU) 1997-06-17 US disclosed
US-5639905-A REACTING N-METHOXYACETYL DERIVATIVE WITH ALKALI METAL ALKOXIDE, REACTING THE METAL SALT WITH METHYL HALOPROPIONATE NITROKEMIA IPARTELEPEK (HU) 1997-06-17 US disclosed
US-5639905-A REACTING N-METHOXYACETYL DERIVATIVE WITH ALKALI METAL ALKOXIDE, REACTING THE METAL SALT WITH METHYL HALOPROPIONATE NITROKEMIA IPARTELEPEK (HU) 1997-06-17 US disclosed
EP-0643687-A1 IMPROVED PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE METHYL ESTER DERIVATIVES NITROKEMIA IPARTELEPEK (HU) 1995-03-22 EP disclosed
EP-0643687-A1 IMPROVED PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE METHYL ESTER DERIVATIVES NITROKEMIA IPARTELEPEK (HU) 1995-03-22 EP disclosed
WO-1993020041-A1 IMPROVED PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE METHYL ESTER DERIVATIVES NITROKÉMIA IPARTELEPEK (HU) 1993-10-14 WO disclosed
WO-1993020041-A1 IMPROVED PROCESS FOR PREPARING N-PHENYL-N-METHOXYACETYL-DL-ALANINE METHYL ESTER DERIVATIVES NITROKÉMIA IPARTELEPEK (HU) 1993-10-14 WO disclosed
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