SCHEMBL10695

SCHEMBL10695

C=C1OB(c2ccc(CC[C@](C)(C(=O)O)S(C)(=O)=O)cc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
F2 P00734 1/20 0.38
F11 P03951 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL5978 0.84 F11 (0.52) SLC6A2MMP12MMP13F2F11
SCHEMBL5984 0.84 F11 (0.52) SLC6A2MMP12MMP13F2F11
SCHEMBL11115 0.78
SCHEMBL10282788 0.78 LPL (0.40) F2F11PRSS1PRSS2PRSS3
SCHEMBL13313519 0.74 LIPG (0.35) F2F11PRSS1PRSS2PRSS3
SCHEMBL12189219 0.71 LPL (0.39) F2F11PRSS1PRSS2PRSS3
SCHEMBL10999 0.71 SLC6A2 (0.58) SLC6A2MMP12MMP13
SCHEMBL5656 0.71 SLC6A2 (0.58) SLC6A2MMP12MMP13
SCHEMBL10867 0.71 SLC6A2 (0.58) SLC6A2MMP12MMP13
SCHEMBL6025 0.71 SLC6A2 (0.55) 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
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 WO disclosed