SCHEMBL19102780

SCHEMBL19102780

COC(CO)Cc1ccc(-c2ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.66
MMP12 P39900 1/20 0.66
MMP13 P45452 1/20 0.66

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
SCHEMBL17435771 1.00 SLC6A2 (0.66) SLC6A2MMP12MMP13
SCHEMBL17435574 0.86 SLC6A2 (0.59) SLC6A2MMP12MMP13
SCHEMBL17435715 0.85 SLC6A2 (0.70) SLC6A2MMP12MMP13
SCHEMBL17435590 0.85 SLC6A2 (0.66) SLC6A2MMP12MMP13
SCHEMBL17435717 0.82 SLC6A2 (0.81) SLC6A2MMP12MMP13
SCHEMBL17435767 0.82 SLC6A2 (0.81) SLC6A2MMP12MMP13
SCHEMBL19102723 0.82 SLC6A2 (0.54) SLC6A2MMP12MMP13
SCHEMBL17435434 0.82
SCHEMBL17435714 0.82 SLC6A2 (0.72) SLC6A2MMP12MMP13
SCHEMBL11898744 0.82 SLC6A2 (0.75) SLC6A2MMP12MMP13

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
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 US disclosed