SCHEMBL6052969

SCHEMBL6052969

CC(C)(N=NC(C)(C)C(=O)OCCCCO)C(=O)OCCCCO

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.45
CYP4A11 Q02928 4/20 0.45
ACHE P22303 6/20 0.40
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
NAAA Q02083 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6052966 1.00 CYP4F2 (0.45) CYP4F2CYP4A11ACHETDP1CA12
SCHEMBL28372906 0.85 TSHR (0.37) CYP4F2CYP4A11ACHEGAAALDH1A1
SCHEMBL15293617 0.85 TSHR (0.37) CYP4F2CYP4A11ACHEGAAALDH1A1
SCHEMBL7575650 0.84 NAAA (0.48) ACHECA12CA1CA2CA9
SCHEMBL7575644 0.84 NAAA (0.48) ACHECA12CA1CA2CA9
SCHEMBL11208257 0.82 NAAA (0.52) ACHECA12CA1CA2CA9
SCHEMBL28811188 0.82 NAAA (0.52) ACHECA12CA1CA2CA9
SCHEMBL4157874 0.82 ALDH1A1 (0.50) ACHETDP1CA12CA1CA2
SCHEMBL4157878 0.82 ALDH1A1 (0.50) ACHETDP1CA12CA1CA2
SCHEMBL1142630 0.81 CYP4F2 (0.50) CYP4F2CYP4A11ACHETDP1NAAA

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-1642934-A1 TRANSPARENT RESIN COMPOSITION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2006-04-05 EP disclosed