SCHEMBL7575650

SCHEMBL7575650

CCCCCOC(=O)C(C)(C)N=NC(C)(C)C(=O)OCCCCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
EPHX1 P07099 1/20 0.46
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.43
HCAR2 Q8TDS4 2/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.41
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 2/20 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
SCHEMBL7575644 1.00 NAAA (0.48) NAAAEPHX1CA12CA1CA2
SCHEMBL28811188 0.98 NAAA (0.52) NAAAEPHX1CA12CA1CA2
SCHEMBL11208257 0.98 NAAA (0.52) NAAAEPHX1CA12CA1CA2
SCHEMBL4157878 0.94 ALDH1A1 (0.50) NAAAEPHX1CA12CA1CA2
SCHEMBL4157874 0.94 ALDH1A1 (0.50) NAAAEPHX1CA12CA1CA2
SCHEMBL28530635 0.87 ALDH1A1 (0.44) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL7594098 0.85 HCAR2 (0.38) TSHRALDH1A1HCAR2ATMLMNA
SCHEMBL7594095 0.85 HCAR2 (0.38) TSHRALDH1A1HCAR2ATMLMNA
SCHEMBL6052966 0.84 CYP4F2 (0.45) NAAACA12CA1CA2CA9
SCHEMBL6052969 0.84 CYP4F2 (0.45) NAAACA12CA1CA2CA9

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