SCHEMBL28209701

SCHEMBL28209701

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.55
▸ SLC7A5 Q01650 1/20 0.55
▸ HRH4 Q9H3N8 3/20 0.46
▸ HRH3 Q9Y5N1 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ BLM P54132 1/20 0.44

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
SCHEMBL28034209 0.88 CYP3A4 (0.52) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3846866 0.81 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL262239 0.81 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1581156 0.81 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL29128804 0.81 CYP3A4 (0.56) CYP3A4SLC7A5
SCHEMBL29270314 0.81 CYP3A4 (0.58) CYP3A4SLC7A5
SCHEMBL28868749 0.80 CYP3A4 (0.45) CYP3A4SLC7A5LMNA
Hydrochloric Acid SCHEMBL7321531 0.80 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL27415903 0.80 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL27541751 0.80 CYP3A4 (0.65) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206906-A Amphiphilic anti-fouling paint for designing pH charge response by utilizing L-histidine and preparation thereof 集美大学 2024-06-18 — — CN claimed
CN-115322286-A Contact lens for myopia prevention and control and supporting and slowly releasing atropine and preparation method thereof 金陵科技学院 2022-11-11 — — CN claimed
CN-118206906-B Amphiphilic anti-fouling paint for designing pH charge response by utilizing L-histidine and preparation thereof 集美大学 2025-09-30 — — CN disclosed
CN-118206906-A Amphiphilic anti-fouling paint for designing pH charge response by utilizing L-histidine and preparation thereof 集美大学 2024-06-18 — — CN disclosed
CN-118206906-A Amphiphilic anti-fouling paint for designing pH charge response by utilizing L-histidine and preparation thereof 集美大学 2024-06-18 — — CN disclosed
CN-115322286-A Contact lens for myopia prevention and control and supporting and slowly releasing atropine and preparation method thereof 金陵科技学院 2022-11-11 — — CN disclosed
CN-107903339-B Chitosan derivative containing amphoteric amino acid group and preparation method and application thereof 暨南大学 2020-04-14 — — CN disclosed
CN-107903339-A The chitosan derivatives and preparation method of a kind of group containing amphoteric amino acids and application 暨南大学 2018-04-13 — — CN disclosed
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