SCHEMBL9508170

SCHEMBL9508170

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SRC P12931 1/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
CTRB1 P17538 1/20 0.38
ELANE P08246 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 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
SCHEMBL9507537 0.87 MEN1 (0.39) KCNN4MEN1KMT2ATSHRMTNR1A
SCHEMBL9173504 0.78 MEN1 (0.35) KCNN4MEN1KMT2AMAPTOPRM1
SCHEMBL9505895 0.78 KCNN4 (0.35) KCNN4SRCMAPTNR1H2NR1H3
SCHEMBL1114389 0.71 KMT2A (0.40) KCNN4MEN1KMT2ATSHRCYP3A4
SCHEMBL12562393 0.70 KCNN4 (0.36) KCNN4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL4893317 0.70 KCNN4 (0.42) KCNN4MEN1KMT2AMAPTNR1H2
SCHEMBL4894696 0.70 KCNN4 (0.42) KCNN4MEN1KMT2AMAPTNR1H2
SCHEMBL27577101 0.69 NR1H2 (0.42) KCNN4MEN1KMT2ASRCTSHR
SCHEMBL7787086 0.69 KMT2A (0.35) KCNN4MEN1KMT2ASRCTSHR
SCHEMBL8551902 0.67 MEN1 (0.33) 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 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