SCHEMBL9365236

SCHEMBL9365236

O=C(O)CNC(=O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 9/20 0.57
▸ ACE P12821 5/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ ECE1 P42892 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ NPEPPS P55786 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CPA1 P15085 2/20 0.50
▸ ACE2 Q9BYF1 2/20 0.50
▸ NAALAD2 Q9Y3Q0 1/20 0.49

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
SCHEMBL9365219 1.00 MME (0.57) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9365243 1.00 MME (0.57) MMEACEALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL8692953 0.98 MME (0.56) MMEACEALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL8693014 0.98 MME (0.56) MMEACEALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL8693006 0.98 MME (0.56) MMEACEALDH1A1HPGDMAPK1
SCHEMBL10947257 0.87 ACE (0.62) MMEACEALDH1A1HPGDMAPK1
SCHEMBL391211 0.85 ACE (0.59) MMEACENAALAD2
SCHEMBL5603448 0.85 ACE (0.59) MMEACENAALAD2
SCHEMBL650610 0.85 ACE (0.59) MMEACENAALAD2
SCHEMBL9068541 0.85 MME (0.70) MMEACECPA1ACE2NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419327-B1 Amino acid derivatives, method for their preparation and their therapeutic application BIOPROJET SOC CIV (FR) 1994-07-27 — — EP claimed
WO-1991004246-A1 METHOD FOR PREPARING AMINO ACID DERIVATIVES AND THERAPEUTICAL APPLICATIONS OF SAME SOCIETE CIVILE BIOPROJET (FR) 1991-04-04 — — WO claimed
EP-0419327-A1 Amino acid derivatives, method for their preparation and their therapeutic application SOCIETE CIVILE BIOPROJET (FR) 1991-03-27 — — EP claimed
EP-0419327-B1 Amino acid derivatives, method for their preparation and their therapeutic application BIOPROJET SOC CIV (FR) 1994-07-27 — — EP disclosed
WO-1991004246-A1 METHOD FOR PREPARING AMINO ACID DERIVATIVES AND THERAPEUTICAL APPLICATIONS OF SAME SOCIETE CIVILE BIOPROJET (FR) 1991-04-04 — — WO disclosed
EP-0419327-A1 Amino acid derivatives, method for their preparation and their therapeutic application SOCIETE CIVILE BIOPROJET (FR) 1991-03-27 — — EP disclosed
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