SCHEMBL27991996

SCHEMBL27991996

N[C@@H](Cc1cnc[nH]1)C(=O)Oc1ccccc1C=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.52
▸ SLC7A5 Q01650 1/20 0.52
▸ NLN Q9BYT8 1/20 0.46
▸ LTA4H P09960 1/20 0.45

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
SCHEMBL6114085 0.81 CYP3A4 (0.62) CYP3A4SLC7A5NLNLTA4H
SCHEMBL28913772 0.78 CYP3A4 (0.49) CYP3A4SLC7A5NLN
SCHEMBL3435176 0.78 CYP3A4 (0.69) CYP3A4SLC7A5NLN
SCHEMBL388562 0.77 CYP3A4 (0.73) CYP3A4SLC7A5
Sulfuric Acid SCHEMBL11052847 0.77 CYP3A4 (0.57) CYP3A4SLC7A5NLNLTA4H
SCHEMBL27945937 0.77 ALPI (0.51) SLC7A5LTA4H
SCHEMBL5961896 0.77 CYP3A4 (0.63) CYP3A4SLC7A5
SCHEMBL3434038 0.76 CYP3A4 (0.67) CYP3A4SLC7A5NLN
SCHEMBL28328192 0.76 CYP3A4 (0.67) CYP3A4SLC7A5
SCHEMBL163444 0.76 CYP3A4 (0.71) CYP3A4SLC7A5

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-104262366-A Amino acid schiff base ligand silver complexes, and preparation method and antibacterial application thereof UNIV SUIHUA 2015-01-07 — — CN disclosed
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