SCHEMBL5806608

SCHEMBL5806608

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.54
▸ EPHX2 P34913 1/20 0.53
▸ PPARG P37231 1/20 0.51
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ TDP1 Q9NUW8 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ IDE P14735 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RIN1 Q13671 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HCRTR1 O43613 1/20 0.48
▸ FOLH1 Q04609 1/20 0.47
▸ ERAP2 Q6P179 1/20 0.47

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
SCHEMBL26073693 0.93 SLC6A4 (0.53) SLC6A4EPHX2CA12CA1CA2
SCHEMBL26073698 0.91 KMT2A (0.61) SLC6A4CA12CA1CA2CA9
SCHEMBL20168642 0.89 SLC6A4 (0.53) SLC6A4CA12CA1CA2CA9
SCHEMBL20168641 0.89 SLC6A4 (0.53) SLC6A4CA12CA1CA2CA9
SCHEMBL5808600 0.85 TDP1 (0.57) CA12CA1CA2CA9TDP1
SCHEMBL9787693 0.84 MMP1 (0.55) SLC6A4TDP1MEN1KMT2AABL1
SCHEMBL17243945 0.83 SLC6A4 (0.47) SLC6A4CA12CA1CA2CA9
SCHEMBL20182251 0.80 TRPV1 (0.47) SLC6A4CA12CA1CA2CA9
SCHEMBL20168527 0.80 TRPV1 (0.47) SLC6A4CA12CA1CA2CA9
SCHEMBL20168529 0.80 TRPV1 (0.47) SLC6A4CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119470877-A Biotinylation modified amino acid probe, preparation method and application thereof, and method and application for identifying amino acid binding protein 同济大学 2025-02-18 — — CN disclosed
WO-2006121234-A1 BIOTIN-AMINO ACID CONJUGATE USEFUL AS A HYDROGELATOR AND HYDROGEL PREPARED THEREFROM POSTECH FOUNDATION (KR) 2006-11-16 — — WO disclosed
Send feedback