SCHEMBL27673762

SCHEMBL27673762

COC(=O)[C@@H](N)Cc1cnc(C(=O)C(Cc2ccccc2)Cc2ccccc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.41
▸ LTA4H P09960 2/20 0.41
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39
▸ ANPEP P15144 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL10584263 0.78 SLC7A5 (0.58) SLC1A3SLC1A2SLC1A1
Phenylalanine Methyl Ester SCHEMBL74888 0.75 SLC7A5 (0.63) LTA4HANPEPMEN1KMT2A
Phenylalanine Methyl Ester SCHEMBL27880854 0.75 SLC7A5 (0.63) LTA4HANPEPMEN1KMT2A
Phenylalanine Methyl Ester SCHEMBL186022 0.75 SLC7A5 (0.63) LTA4HANPEPMEN1KMT2A
Phenylalanine Methyl Ester SCHEMBL74887 0.75 SLC7A5 (0.63) LTA4HANPEPMEN1KMT2A
SCHEMBL12457466 0.75 ALPI (0.43) MMP2LTA4H
Phenylalanine Methyl Ester SCHEMBL136408 0.74 SLC7A5 (0.61) LTA4HANPEPMEN1KMT2A
Phenylalanine Methyl Ester SCHEMBL2237414 0.74 SLC7A5 (0.61) LTA4HANPEPMEN1KMT2A
Phenylalanine Methyl Ester SCHEMBL346467 0.74 SLC7A5 (0.61) LTA4HANPEPMEN1KMT2A
Phenylalanine Methyl Ester SCHEMBL2728392 0.74 SLC7A5 (0.61) LTA4HANPEPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-86105870-A Band 5-amino-2, the blood vessel tension peptide protoenzyme inhibitor of 5-two replacement-4-hydroxypentanoic acid bases — 1987-03-11 — — CN disclosed
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