SCHEMBL12412728

SCHEMBL12412728

CNC(=O)C(CCCCN)NC(=O)C(Cc1ccccc1)NC(=O)COCC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 16/20 0.51
▸ MMP3 P08254 16/20 0.51
▸ MMP8 P22894 5/20 0.49
▸ MMP9 P14780 3/20 0.49
▸ CALCRL Q16602 1/20 0.49
▸ MMP2 P08253 9/20 0.48
▸ MMP7 P09237 6/20 0.48

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
SCHEMBL14821599 0.83 MMP1 (0.57) MMP1MMP3MMP8MMP9MMP2
SCHEMBL20159738 0.83 MMP2 (0.57) MMP1MMP3MMP8MMP9MMP2
SCHEMBL13344145 0.82 GHSR (0.57) MMP1MMP3MMP8MMP2
SCHEMBL20356789 0.82 GHSR (0.57) MMP1MMP3MMP8MMP2
SCHEMBL12062789 0.80 MMP1 (0.57) MMP1MMP3MMP8MMP9MMP2
SCHEMBL16854865 0.80 CALCRL (0.54) CALCRL
SCHEMBL23901052 0.80 MMP2 (0.54) MMP1MMP3MMP8MMP9MMP2
SCHEMBL23893967 0.79 MMP2 (0.53) MMP1MMP3MMP8MMP9MMP2
SCHEMBL16984908 0.77 CALCRL (0.51) CALCRL
SCHEMBL25062089 0.77 MMP2 (0.53) MMP1MMP3MMP2MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48751-E1 Immunoconjugates with an intracellularly-cleavable linkage IMMUNOMEDICS, INC. (US) 2021-09-28 — — US disclosed
US-8759496-B2 Immunoconjugates with an intracellularly-cleavable linkage IMMUNOMEDICS, INC. (US) 2014-06-24 — — US disclosed
US-7999083-B2 Immunoconjugates with an intracellularly-cleavable linkage IMMUNOMEDICS, INC. (US) 2011-08-16 — — US disclosed
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