SCHEMBL9223256

SCHEMBL9223256

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.39
MMP13 P45452 3/20 0.39
MMP9 P14780 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ADAMTS4 O75173 2/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 2/20 0.35
IDO1 P14902 1/20 0.35
MMP14 P50281 2/20 0.35
PHGDH O43175 1/20 0.35
KMT2A Q03164 2/20 0.34
CAPN1 P07384 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL8771893 0.83 MMP1 (0.40) MMP2MMP13MMP9MMP1MMP3
SCHEMBL9229600 0.79 MAPT (0.34) MMP2MMP13MMP9MMP1MMP3
SCHEMBL9227631 0.78 TDP1 (0.36) CA12CA7CA9CA14MAPT
SCHEMBL9227651 0.68 MAPT (0.40) MAPTPOLBKMT2ACTSLCTSB
SCHEMBL9411042 0.67 MAOB (0.36) MMP13KMT2AMEN1
SCHEMBL9229171 0.67 MAPT (0.48) MAPTPOLBKMT2AMEN1
SCHEMBL9411030 0.66
SCHEMBL9228448 0.66 MAPT (0.35) MAPTKMT2AMEN1
SCHEMBL9229076 0.66 HTT (0.42) MMP2CA9POLBKMT2ACTSS
SCHEMBL15320092 0.65 KMT2A (0.46) MMP2MMP13MMP9MMP1MMP3

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