SCHEMBL6945362

SCHEMBL6945362

Cc1ccccc1N(NC(=O)[C@H](CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)OC(C)(C)C)S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.54
PSMB5 P28074 3/20 0.34
MEN1 O00255 1/20 0.31
JAK2 O60674 1/20 0.31
S1PR4 O95977 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
XBP1 P17861 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MMP1 P03956 2/20 0.31
MMP13 P45452 2/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL6940364 0.88 ADAM17 (0.70) ADAM17MMP1MMP13MMP9
SCHEMBL7935009 0.84 ADAM17 (0.76) ADAM17PSMB5MMP1MMP13MMP9
SCHEMBL6941589 0.82 ADAM17 (0.49) ADAM17PSMB5MMP1
SCHEMBL7940342 0.81 ADAM17 (0.52) ADAM17PSMB5NPSR1MMP1MMP13
SCHEMBL6948147 0.79 ADAM17 (0.55) ADAM17GRIK1GRIK2
SCHEMBL6948137 0.79 ADAM17 (0.55) ADAM17GRIK1GRIK2
SCHEMBL6942217 0.79 ADAM17 (0.49) ADAM17
SCHEMBL6220493 0.79 ADAM17 (0.48) ADAM17MEN1MAPK1KMT2ANPSR1
SCHEMBL6984686 0.79 ADAM17 (0.48) ADAM17MEN1MAPK1KMT2ANPSR1
SCHEMBL6220496 0.79 ADAM17 (0.48) ADAM17MEN1MAPK1KMT2ANPSR1

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed