SCHEMBL29265449

SCHEMBL29265449

CC(C)(C)OC(=O)NC(CCC(=O)O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CTSK P43235 10/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CTSS P25774 6/20 0.41
▸ ANPEP P15144 1/20 0.40
▸ ENPEP Q07075 1/20 0.40
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 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
SCHEMBL30422267 1.00 CA1 (0.42) CA1CA2CA7CTSKCYP2D6
SCHEMBL5691699 0.91 CA1 (0.46) CA1CA2CA7CTSKCYP2D6
SCHEMBL28648146 0.90 CYP2D6 (0.47) CA1CA2CA7CTSKCYP2D6
SCHEMBL28648145 0.90 CYP2D6 (0.47) CA1CA2CA7CTSKCYP2D6
SCHEMBL19412348 0.90 CA1 (0.41) CA1CA2CA7CTSKCYP2D6
SCHEMBL19412345 0.90 CA1 (0.41) CA1CA2CA7CTSKCYP2D6
SCHEMBL14265314 0.89 CTSK (0.42) CA1CA2CA7CTSKCYP2D6
SCHEMBL29402441 0.89 CTSK (0.42) CA1CA2CA7CTSKCYP2D6
SCHEMBL31251011 0.89 CYP2D6 (0.42) CA1CA2CA7CTSKCYP2D6
SCHEMBL3830098 0.88 CTSK (0.41) CA1CA2CA7CTSKCYP2D6

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-119909235-A Medical lubricant and preparation method thereof 河北医科大学第一医院 2025-05-02 — — CN claimed
CN-118272956-A Breathable, hygroscopic and flame-retardant polyurethane fiber as well as preparation and application thereof 江苏恒科新材料有限公司 2024-07-02 — — CN claimed
CN-119909235-A Medical lubricant and preparation method thereof 河北医科大学第一医院 2025-05-02 — — CN disclosed
CN-118272956-A Breathable, hygroscopic and flame-retardant polyurethane fiber as well as preparation and application thereof 江苏恒科新材料有限公司 2024-07-02 — — CN disclosed
CN-112094224-B Preparation method of 3-substituted-5-aminopiperidine with protecting group 浙江医药股份有限公司新昌制药厂 2022-08-26 — — CN disclosed
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