SCHEMBL17468007

SCHEMBL17468007

NCCCCC(NC(=O)CNC(=O)CNC(=O)CCCc1c[nH]c2ccccc12)C(=O)NCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.51
▸ PLG P00747 2/20 0.50
▸ PRSS1 P07477 2/20 0.50
▸ PRSS2 P07478 2/20 0.50
▸ PRSS3 P35030 2/20 0.50
▸ TPSAB1 Q15661 2/20 0.50
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPBWR1 P48145 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ CAPN1 P07384 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL20168642 0.83 SLC6A4 (0.53) SLC6A4HDAC3HDAC4HDAC1HDAC6
SCHEMBL20168641 0.83 SLC6A4 (0.53) SLC6A4HDAC3HDAC4HDAC1HDAC6
SCHEMBL26490602 0.78 PSEN1 (0.59) PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL5806608 0.77 SLC6A4 (0.54) SLC6A4CA12CA1CA2CA9
SCHEMBL26073693 0.76 SLC6A4 (0.53) SLC6A4HDAC3HDAC4HDAC1HDAC6
SCHEMBL26073698 0.75 KMT2A (0.61) SLC6A4CA12CA1CA2CA9
SCHEMBL20182251 0.75 TRPV1 (0.47) SLC6A4CA12CA1CA2CA9
SCHEMBL20168527 0.75 TRPV1 (0.47) SLC6A4CA12CA1CA2CA9
SCHEMBL20168529 0.75 TRPV1 (0.47) SLC6A4CA12CA1CA2CA9
SCHEMBL9787693 0.74 MMP1 (0.55) SLC6A4TDP1CAPN1MEN1KMT2A

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
US-20220218839-A1 SELECTIVE UV CROSSLINKING OF PEPTIDES AND FUNCTIONAL MOIETIES TO IMMUNOGLOBULINS UNIVERSITY OF NOTRE DAME DU LAC (US) 2022-07-14 — — US disclosed
US-11116848-B2 Selective UV crosslinking of peptides and functional moieties to immunoglobulins UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-09-14 — — US disclosed
EP-2970440-B1 SELECTIVE UV CROSSLINKING OF PEPTIDES AND FUNCTIONAL MOIETIES TO IMMUNOGLOBULINS UNIV NOTRE DAME DU LAC (US) 2019-11-20 — — EP disclosed
US-20190328896-A1 SELECTIVE UV CROSSLINKING OF PEPTIDES AND FUNCTIONAL MOIETIES TO IMMUNOGLOBULINS UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-10-31 — — US disclosed
US-20160022834-A1 SELECTIVE UV CROSSLINKING OF PEPTIDES AND FUNCTIONAL MOIETIES TO IMMUNOGLOBULINS UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-01-28 — — US disclosed
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