SCHEMBL3783791

SCHEMBL3783791

CCC(C)C(NC(=O)C(N)CO)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.54
▸ ENPEP Q07075 7/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PDCD1LG2 Q9BQ51 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ CA2 P00918 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ FPR2 P25090 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MME P08473 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL3783793 1.00 ALDH1A1 (0.54) ALDH1A1ENPEPL3MBTL1PDCD1LG2CD274
SCHEMBL31720945 0.92 PDCD1LG2 (0.48) ALDH1A1ENPEPL3MBTL1PDCD1LG2CD274
SCHEMBL30807934 0.91 PDCD1LG2 (0.47) ALDH1A1ENPEPL3MBTL1PDCD1LG2CD274
SCHEMBL30807942 0.91 PDCD1LG2 (0.47) ALDH1A1ENPEPL3MBTL1PDCD1LG2CD274
SCHEMBL30272531 0.91 ALDH1A1 (0.45) ALDH1A1ENPEPPDCD1LG2CD274
SCHEMBL30439839 0.89 ALDH1A1 (0.58) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL29697059 0.89 PDCD1LG2 (0.51) ALDH1A1ENPEPPDCD1LG2CD274
SCHEMBL30532052 0.89 ALDH1A1 (0.44) ALDH1A1ENPEPL3MBTL1PDCD1LG2CD274
SCHEMBL29722979 0.87 PDCD1LG2 (0.56) ALDH1A1ENPEPPDCD1LG2CD274
SCHEMBL2739545 0.86 ALDH1A1 (0.54) ALDH1A1ENPEPL3MBTL1CA2CA1

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-114813994-B Serum metabolite marker for noninvasive diagnosis of epileptic seizure control patient and application thereof 郑州大学第一附属医院 2024-02-09 — — CN disclosed
CN-114813994-B Serum metabolite marker for noninvasive diagnosis of epileptic seizure control patient and application thereof 郑州大学第一附属医院 2024-02-09 — — CN disclosed
US-7846902-B2 Dipeptide-comprising composition for oral administration KYOWA HAKKO BIO CO., LTD. (JP) 2010-12-07 — — US disclosed
US-20080305151-A1 Dipeptide-Comprising Composition for Oral Administration KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-12-11 — — US disclosed
EP-1941896-A1 DIPEPTIDE-CONTAINING COMPOSITION FOR ORAL ADMINISTRATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-07-09 — — EP disclosed
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