SCHEMBL9751775

SCHEMBL9751775

COCC(=O)N(c1ccc(C(C)C)cc1)C(C)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 5/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
OXTR P30559 1/20 0.39
LMNA P02545 3/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
PLA2G1B P04054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL8622032 0.85 ALDH1A1 (0.46) SMN1; SMN2L3MBTL1MAPTHTTALDH1A1
SCHEMBL8622030 0.85 ALDH1A1 (0.46) SMN1; SMN2L3MBTL1MAPTHTTALDH1A1
SCHEMBL27997494 0.78 TAS1R3 (0.40) HPGDSMN1; SMN2MAPTHTTALDH1A1
SCHEMBL28049223 0.78 TAS1R3 (0.40) HPGDSMN1; SMN2MAPTHTTALDH1A1
Mefenoxam SCHEMBL22529 0.75 KMT2A (0.58) SMN1; SMN2HTTALDH1A1KMT2AMEN1
Metalaxyl SCHEMBL20990 0.75 KMT2A (0.58) SMN1; SMN2HTTALDH1A1KMT2AMEN1
Metalaxyl SCHEMBL55820 0.75 KMT2A (0.58) SMN1; SMN2HTTALDH1A1KMT2AMEN1
Metalaxyl SCHEMBL8376541 0.75 KMT2A (0.58) SMN1; SMN2HTTALDH1A1KMT2AMEN1
Metalaxyl SCHEMBL30058456 0.75 KMT2A (0.58) SMN1; SMN2HTTALDH1A1KMT2AMEN1
Metalaxyl SCHEMBL8817105 0.75 KMT2A (0.58) SMN1; SMN2HTTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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