SCHEMBL9507537

SCHEMBL9507537

CON(c1ccccc1)C(C)(C(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 4/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNN4 O15554 1/20 0.34
GLA P06280 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
SCHEMBL9508170 0.87 KCNN4 (0.43) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL1114389 0.77 KMT2A (0.40) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL4894696 0.76 KCNN4 (0.42) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL4893317 0.76 KCNN4 (0.42) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL27276534 0.75 KMT2A (0.41) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL12562393 0.73 KCNN4 (0.36) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL3846495 0.71 MEN1 (0.41) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8551902 0.70 MEN1 (0.33) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL2529960 0.69 MEN1 (0.42) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL29589335 0.69 KMT2A (0.37) MEN1KMT2ACYP3A4CYP2C9CYP2C19

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