SCHEMBL7594098

SCHEMBL7594098

CCCOC(=O)C(C)(C)N=NC(C)(C)C(=O)OCCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.35
GRM1 Q13255 1/20 0.35
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ATM Q13315 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
SCHEMBL7594095 1.00 HCAR2 (0.38) HCAR2ALDH1A1LMNAGRM1ESR1
SCHEMBL28527730 0.92 HCAR2 (0.37) HCAR2ALDH1A1LMNAGRM1ESR1
SCHEMBL4157874 0.87 ALDH1A1 (0.50) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL4157878 0.87 ALDH1A1 (0.50) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL7575644 0.85 NAAA (0.48) HCAR2ALDH1A1LMNATSHRATM
SCHEMBL7575650 0.85 NAAA (0.48) HCAR2ALDH1A1LMNATSHRATM
SCHEMBL11208257 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHR
SCHEMBL28811188 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHR
SCHEMBL28372906 0.82 TSHR (0.37) ALDH1A1TSHR
SCHEMBL15293617 0.82 TSHR (0.37) ALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957114-B1 Azoamide compounds and their use as polymerisation initiators WAKO PURE CHEM IND LTD (JP) 2002-09-25 EP disclosed
US-6031084-A Azoamide compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed
EP-0957114-A1 Azoamide compounds and their use as polymerisation initiators Wako Pure Chemical Industries, Ltd. (JP) 1999-11-17 EP disclosed