SCHEMBL14878482

SCHEMBL14878482

COCCOC(=O)N1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C(N)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.43
MMP9 P14780 7/20 0.43
MMP13 P45452 6/20 0.43
MMP3 P08254 6/20 0.43
MMP7 P09237 5/20 0.43
HRH3 Q9Y5N1 5/20 0.40
ADAM17 P78536 2/20 0.40
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
JAK1 P23458 3/20 0.39
JAK2 O60674 2/20 0.39
PRKAA2 P54646 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MLNR O43193 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
SCHEMBL12905512 0.92 MMP1 (0.42) MMP1MMP9MMP13MMP3MMP7
SCHEMBL778953 0.90 MMP1 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL328467 0.90 MMP1 (0.50) MMP1MMP9MMP13MMP3MMP7
SCHEMBL14878471 0.87 OPRM1 (0.41) MMP1MMP9MMP13MMP3MMP7
SCHEMBL14878466 0.84 MMP1 (0.44) MMP1MMP9MMP13MMP3MMP7
SCHEMBL14878456 0.84 MMP1 (0.43) MMP1MMP9MMP13MMP3MMP7
SCHEMBL12905346 0.81 MMP1 (0.49) MMP1MMP9MMP13MMP3MMP7
SCHEMBL14878483 0.81 F2R (0.41) MMP1MMP9MMP13MMP3MMP7
SCHEMBL12905513 0.80 MMP1 (0.40) MMP1MMP9MMP13MMP3MMP7
SCHEMBL778957 0.79 MMP1 (0.64) MMP1MMP9MMP13MMP3MMP7

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-8426415-B2 Human ADAM-10 inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-04-23 US disclosed