SCHEMBL8911083

SCHEMBL8911083

Cc1ccc(S(=O)(=O)O[C@H](C(=O)OC(C)(C)C)C2CCCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL7405973 0.94 MMP13 (0.39) MMP13
SCHEMBL7409438 0.94 MMP13 (0.39) MMP13
SCHEMBL7405969 0.94 MMP13 (0.39) MMP13
SCHEMBL501931 0.82 MMP13 (0.41) MMP13SLC6A2SLC6A4SLC6A3
SCHEMBL7513515 0.80 MMP13 (0.40) MMP13
SCHEMBL2577927 0.80 SLC6A3 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL7407540 0.77 HTR6 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL5802609 0.76 FKBP1A (0.36)
SCHEMBL7366077 0.73 KMT2A (0.41) MMP13
SCHEMBL7412821 0.73 KMT2A (0.41) MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 WO disclosed