SCHEMBL7873416

SCHEMBL7873416

NC(=O)c1cccnc1NC(=O)[CH]CCCCNC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.49
TGM2 P21980 1/20 0.49
HTT P42858 1/20 0.46
FAAH O00519 1/20 0.45
STING1 Q86WV6 3/20 0.44
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
TSHR P16473 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7873394 0.80 ALDH1A1 (0.49) HTTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL7873448 0.79 MAPT (0.48) HTTLMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL7873367 0.77 TGM2 (0.49) ANPEPTGM2HTTFAAHKEAP1
SCHEMBL7879245 0.77 RIOK2 (0.42) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7868121 0.76 MAPK1 (0.50) ANPEPTGM2HTTSTING1KEAP1
SCHEMBL7868172 0.75 HPGD (0.42) HTTKEAP1NFE2L2LMNASMN1; SMN2
SCHEMBL28085520 0.74 TGM2 (0.67) TGM2HTTFAAHKEAP1NFE2L2
SCHEMBL7868065 0.73 MAPK1 (0.48) ANPEPTGM2HTTSTING1KEAP1
SCHEMBL23566408 0.73 MAPK1 (0.52) HTTLMNASMN1; SMN2L3MBTL1POLB
SCHEMBL7976783 0.73 TGM2 (0.65) ANPEPTGM2HTTFAAHKEAP1

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-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed