SCHEMBL28328192

SCHEMBL28328192

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.67
▸ SLC7A5 Q01650 1/20 0.67
▸ HRH4 Q9H3N8 3/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ BLM P54132 1/20 0.50

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
SCHEMBL27759486 0.98 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1537285 0.94 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL163444 0.94 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL28331180 0.92 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5221763 0.89 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL153062 0.89 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL388562 0.89 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL724387 0.88 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL15911724 0.88 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL162081 0.88 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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
CN-110437087-B Method for separating amino acid carbonate from fermentation liquor 南京高新工大生物技术研究院有限公司 2022-06-03 — — CN disclosed
CN-112798720-B Application of histidine buffer solution in reduction of protein aggregates 苏州药明生物技术有限公司 2022-04-19 — — CN disclosed
CN-112798720-A Application of histidine buffer solution in reduction of protein aggregates 苏桥生物(苏州)有限公司 2021-05-14 — — CN disclosed
CN-110484575-A A kind of method of fermentative preparation of amino acids carbonate NANJING HIGH NEW GONGDA BIOLOGICAL TECH RESEARCH INSTITUTE CO LTD 2019-11-22 — — CN disclosed
CN-110437087-A A method of the amino acid separation carbonate from fermentation liquid NANJING HIGH TECH INDUSTRIAL BIOTECHNOLOGY RES INSTITUTE CO LTD 2019-11-12 — — CN disclosed
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