SCHEMBL27410744

SCHEMBL27410744

CNC(=O)[C@H](O)C(C)(C)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 15/20 0.34
▸ MMP1 P03956 13/20 0.34
▸ MMP9 P14780 9/20 0.34
▸ MMP2 P08253 11/20 0.32
▸ MMP8 P22894 3/20 0.32
▸ MMP7 P09237 3/20 0.32
▸ MMP13 P45452 2/20 0.32
▸ MMP14 P50281 2/20 0.32
▸ ADAM17 P78536 2/20 0.32
▸ MMP20 O60882 1/20 0.32
▸ ADAMTS4 O75173 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ MMP10 P09238 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ MMP15 P51511 1/20 0.32
▸ MMP16 P51512 1/20 0.32
▸ MMP25 Q9NPA2 1/20 0.32
▸ MMP26 Q9NRE1 1/20 0.32
▸ ADAMTS5 Q9UNA0 1/20 0.32
▸ MMP24 Q9Y5R2 1/20 0.32

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
SCHEMBL7697152 0.81 MMP3 (0.39) MMP3MMP1MMP9MMP2MMP8
SCHEMBL7697149 0.81 MMP3 (0.39) MMP3MMP1MMP9MMP2MMP8
SCHEMBL7698949 0.81 MMP3 (0.39) MMP3MMP1MMP9MMP2MMP8
SCHEMBL23866562 0.75 CA12 (0.34) MMP1MMP9MMP2MMP8
SCHEMBL23866563 0.75 CA12 (0.34) MMP1MMP9MMP2MMP8
SCHEMBL23866540 0.75 CA12 (0.34) MMP1MMP9MMP2MMP8
SCHEMBL26665913 0.74 MAPT (0.32) MMP3MMP1MMP9
SCHEMBL14602776 0.73 PTGS1 (0.58) MMP3MMP1MMP9MMP2MMP8
SCHEMBL10051718 0.73 PTGS1 (0.58) MMP3MMP1MMP9MMP2MMP8
SCHEMBL3416457 0.72 SPHK1 (0.41) PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024100139-A1 USE OF IFN-I ACTIVITY AS A BIOMARKER FOR TLR INHIBITOR TREATMENT MERCK PATENT GMBH (DE) 2024-05-16 — — WO disclosed
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