SCHEMBL8891916

SCHEMBL8891916

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL8891911 1.00 ALDH1A1 (0.49) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL8622030 0.88 ALDH1A1 (0.46) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL8622032 0.88 ALDH1A1 (0.46) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL8922653 0.83 ALDH1A1 (0.54) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL20421705 0.81 ALDH1A1 (0.53) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL4431633 0.81 MEN1 (0.46) ALDH1A1TP53SMN1; SMN2MEN1KMT2A
SCHEMBL28250496 0.81 KMT2A (0.36) MEN1KMT2A
SCHEMBL28192256 0.81 KMT2A (0.36) MEN1KMT2A
SCHEMBL28192253 0.81 KMT2A (0.36) MEN1KMT2A
SCHEMBL5792664 0.81 MEN1 (0.46) ALDH1A1TP53SMN1; SMN2MEN1KMT2A

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 5 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
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-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