SCHEMBL9505890

SCHEMBL9505890

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
PLA2G1B P04054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.35
NLRP3 Q96P20 1/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8169798 0.85 MEN1 (0.46) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL11520682 0.84 KMT2A (0.40) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL8622030 0.80 ALDH1A1 (0.46) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL8622032 0.80 ALDH1A1 (0.46) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL11521431 0.80 MEN1 (0.47) KMT2AHTTMEN1PLA2G1BNPSR1
Metalaxyl SCHEMBL5070290 0.76 KMT2A (0.58) KMT2AHTTMEN1PLA2G1BNPSR1
Metalaxyl SCHEMBL55820 0.76 KMT2A (0.58) KMT2AHTTMEN1PLA2G1BNPSR1
Metalaxyl SCHEMBL8376541 0.76 KMT2A (0.58) KMT2AHTTMEN1PLA2G1BNPSR1
Metalaxyl SCHEMBL20990 0.76 KMT2A (0.58) KMT2AHTTMEN1PLA2G1BNPSR1
Mefenoxam SCHEMBL22529 0.76 KMT2A (0.58) KMT2AHTTMEN1PLA2G1BNPSR1

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