SCHEMBL19102779

SCHEMBL19102779

CC(CCc1ccc(C#CC(O)CO)cc1)(C(=O)NO)S(C)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.58
MMP12 P39900 1/20 0.58
MMP13 P45452 1/20 0.58

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
SCHEMBL17435756 0.97 SLC6A2 (0.64) SLC6A2MMP12MMP13
SCHEMBL17435774 0.93 SLC6A2 (0.55) SLC6A2MMP12MMP13
SCHEMBL19102724 0.89 SLC6A2 (0.60) SLC6A2MMP12MMP13
SCHEMBL17435606 0.86 SLC6A2 (0.64) SLC6A2MMP12MMP13
SCHEMBL17435478 0.86 SLC6A2 (0.66) SLC6A2MMP12MMP13
SCHEMBL19102786 0.84 SLC6A2 (0.61) SLC6A2MMP12MMP13
SCHEMBL17435751 0.84 SLC6A2 (0.61) SLC6A2MMP12MMP13
SCHEMBL17435449 0.84 SLC6A2 (0.55) SLC6A2MMP12MMP13
SCHEMBL19102770 0.84 SLC6A2 (0.62) SLC6A2MMP12MMP13
SCHEMBL17435393 0.83 SLC6A2 (0.60) 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