SCHEMBL19102786

SCHEMBL19102786

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

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.61
MMP12 P39900 1/20 0.61
MMP13 P45452 1/20 0.61

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
SCHEMBL17435751 1.00 SLC6A2 (0.61) SLC6A2MMP12MMP13
SCHEMBL17435820 0.90 SLC6A2 (0.53) SLC6A2MMP12MMP13
SCHEMBL17435756 0.88 SLC6A2 (0.64) SLC6A2MMP12MMP13
SCHEMBL17435606 0.88 SLC6A2 (0.64) SLC6A2MMP12MMP13
SCHEMBL17435574 0.86 SLC6A2 (0.59) SLC6A2MMP12MMP13
SCHEMBL17435478 0.85 SLC6A2 (0.66) SLC6A2MMP12MMP13
SCHEMBL19102779 0.84 SLC6A2 (0.58) SLC6A2MMP12MMP13
SCHEMBL17435668 0.83 SLC6A2 (0.69) SLC6A2MMP12MMP13
SCHEMBL19102723 0.83 SLC6A2 (0.54) SLC6A2MMP12MMP13
SCHEMBL17435463 0.82

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