SCHEMBL8627827

SCHEMBL8627827

CC(C)(C)OC(=O)O/N=C(\C#N)c1ccccc1.CC(C)(C)OC(=O)O/N=C(\C#N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.50
MAPT P10636 2/20 0.44
ELANE P08246 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TNF P01375 1/20 0.37
KLF5 Q13887 1/20 0.37
NOD1 Q9Y239 1/20 0.37
USP2 O75604 1/20 0.37
CTSS P25774 7/20 0.36
CTSK P43235 4/20 0.36
AAK1 Q2M2I8 1/20 0.36
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTSL P07711 3/20 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
SCHEMBL409974 1.00 PLA2G7 (0.50) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL209658 1.00 PLA2G7 (0.50) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL73083 1.00 PLA2G7 (0.50) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL209659 1.00 PLA2G7 (0.50) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL8547007 0.93 PLA2G7 (0.45) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL7045591 0.87 ELANE (0.41) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL25377184 0.86 PLA2G7 (0.58) PLA2G7MAPTALDH1A1TSHRHSD17B10
SCHEMBL2635874 0.86 PLA2G7 (0.58) PLA2G7MAPTALDH1A1TSHRHSD17B10
SCHEMBL2635878 0.86 PLA2G7 (0.58) PLA2G7MAPTALDH1A1TSHRHSD17B10
SCHEMBL11330082 0.86 ELANE (0.41) PLA2G7MAPTELANETSHRTDP1

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-5767127-A BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-16 US disclosed