SCHEMBL29759108

SCHEMBL29759108

CCN(CC)CCOC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 5/20 0.80
▸ CYP3A4 P08684 3/20 0.80
▸ THPO P40225 2/20 0.80
▸ MTOR P42345 2/20 0.80
▸ KMT2A Q03164 6/20 0.78
▸ MEN1 O00255 5/20 0.78
▸ PMP22 Q01453 2/20 0.78
▸ SCN1A P35498 4/20 0.64
▸ SCN2A Q99250 4/20 0.64
▸ SCN3A Q9NY46 4/20 0.64
▸ SLC29A1 Q99808 5/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ TSHR P16473 5/20 0.55
▸ HRH3 Q9Y5N1 3/20 0.55
▸ HTR3A P46098 2/20 0.55
▸ MAOA P21397 1/20 0.55
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ HTR4 Q13639 1/20 0.54
▸ BLM P54132 2/20 0.54

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
SCHEMBL2457928 0.89 CYP3A4 (1.00) CYP2D6CYP3A4THPOMTORKMT2A
SCHEMBL2454357 0.89 CYP3A4 (1.00) CYP2D6CYP3A4THPOMTORKMT2A
SCHEMBL2173737 0.89 CYP3A4 (1.00) CYP2D6CYP3A4THPOMTORKMT2A
Hydrochloric Acid SCHEMBL29361001 0.88 KMT2A (1.00) CYP2D6CYP3A4THPOMTORKMT2A
Hydrochloric Acid SCHEMBL5682553 0.88 KMT2A (1.00) CYP2D6CYP3A4THPOMTORKMT2A
Butanedione SCHEMBL8444179 0.86 CYP3A4 (0.93) CYP2D6CYP3A4THPOMTORKMT2A
SCHEMBL9680396 0.83 SLC29A1 (0.66) CYP2D6CYP3A4THPOMTORKMT2A
SCHEMBL11325502 0.82 SCN1A (0.57) CYP2D6CYP3A4THPOMTORKMT2A
SCHEMBL8055892 0.80 SCN1A (0.69) CYP2D6CYP3A4THPOMTORKMT2A
SCHEMBL2459622 0.79 SCN1A (0.82) CYP2D6CYP3A4THPOMTORKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954949-A Screening method of anti-plasmodium monoclonal antibody and application thereof 无锡市第九人民医院 2025-05-09 — — CN disclosed
CN-119757582-A Marbaluo Sha Wei intermediate enantiomers of the body diastereoisomer detection method 博济医药科技股份有限公司 2025-04-04 — — CN disclosed
CN-119752440-A Single-component TMB color developing solution and preparation method thereof 重庆宝太生物科技有限公司 2025-04-04 — — CN disclosed
EP-4045684-A1 METHODS OF PREPARING AN ENRICHED SAMPLE FOR POLYPEPTIDE SEQUENCING Quantum-Si Incorporated (US) 2022-08-24 — — EP disclosed
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