SCHEMBL22462185

SCHEMBL22462185

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.61
▸ SLC7A5 Q01650 1/20 0.61
▸ HRH4 Q9H3N8 3/20 0.47
▸ HRH3 Q9Y5N1 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ DPP4 P27487 1/20 0.46

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
SCHEMBL6779063 1.00 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL4455707 0.95 CYP3A4 (0.59) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL163444 0.90 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1537285 0.90 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL29183811 0.89 CYP3A4 (0.58) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL28331180 0.88 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL28504890 0.88 CYP3A4 (0.57) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL28328192 0.87 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5221763 0.85 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL27759486 0.85 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3714902-B1 STABILIZATION OF PHARMACEUTICAL COMPOSITIONS COMPRISING POLYSORBATE LEK PHARMACEUTICALS (SI) 2024-08-28 — — EP claimed
US-20230137216-A1 Stabilization of Pharmaceutical Compositions Comprising Polysorbate LEK PHARMACEUTICALS D.D. (SI) 2023-05-04 — — US claimed
WO-2021180981-A1 STABILIZATION OF PHARMACEUTICAL COMPOSITIONS COMPRISING POLYSORBATE LEK PHARMACEUTICALS D.D. (SI) 2021-09-16 — — WO claimed
EP-3714902-A1 STABILIZATION OF PHARMACEUTICAL COMPOSITIONS COMPRISING POLYSORBATE LEK Pharmaceuticals d.d. (SI) 2020-09-30 — — EP claimed
EP-4683615-A1 FORMULATIONS COMPRISING POLYSORBATE Boehringer Ingelheim International GmbH (DE) 2026-01-28 — — EP disclosed
WO-2024194421-A1 FORMULATIONS COMPRISING POLYSORBATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-09-26 — — WO disclosed
EP-3714902-B1 STABILIZATION OF PHARMACEUTICAL COMPOSITIONS COMPRISING POLYSORBATE LEK PHARMACEUTICALS (SI) 2024-08-28 — — EP disclosed
US-20230137216-A1 Stabilization of Pharmaceutical Compositions Comprising Polysorbate LEK PHARMACEUTICALS D.D. (SI) 2023-05-04 — — US disclosed
WO-2021180981-A1 STABILIZATION OF PHARMACEUTICAL COMPOSITIONS COMPRISING POLYSORBATE LEK PHARMACEUTICALS D.D. (SI) 2021-09-16 — — WO disclosed
EP-3714902-A1 STABILIZATION OF PHARMACEUTICAL COMPOSITIONS COMPRISING POLYSORBATE LEK Pharmaceuticals d.d. (SI) 2020-09-30 — — EP disclosed
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