SCHEMBL8771893

SCHEMBL8771893

CC(CS(=O)(=O)c1ccc(F)cc1)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PHGDH O43175 1/20 0.37
CA2 P00918 1/20 0.37
ADAMTS4 O75173 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CAPN1 P07384 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 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
SCHEMBL9223256 0.83 MMP2 (0.39) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8771881 0.78 MEN1 (0.36) MEN1GAAKMT2AMAPT
SCHEMBL8771898 0.78 MTNR1A (0.42) MEN1GAAKMT2AMAPT
SCHEMBL21676258 0.67 CTSK (0.38) MMP1MMP2MMP9CA12CA9
SCHEMBL8771891 0.67 LMNA (0.41) MEN1KMT2AMAPTPOLB
SCHEMBL8896748 0.66 MAOB (0.37) MEN1KMT2A
SCHEMBL8771962 0.66 MAPT (0.49) MEN1GAAKMT2AMAPTPOLB
SCHEMBL15320092 0.66 KMT2A (0.46) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8415723 0.65 HTT (0.54) MEN1KMT2A
SCHEMBL6500454 0.65 MMP13 (0.58) MMP1MMP2MMP3MMP7MMP9

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed