SCHEMBL28293286

SCHEMBL28293286

C=CCOCC=C.OCC(O)COOCC(O)CO

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.38
CA4 P22748 2/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL569690 0.89 CA1 (0.42) CA1CA2CA7CA9USP2
SCHEMBL3093350 0.86
SCHEMBL30534 0.86
SCHEMBL6013926 0.86
Glycerin SCHEMBL93296 0.86 CA1 (0.52) CA1CA2CA7CA9CA4
Glycerin SCHEMBL9617071 0.86 CA1 (0.52) CA1CA2CA7CA9CA4
Glycerin SCHEMBL748344 0.86 CA1 (0.52) CA1CA2CA7CA9CA4
Glycerin SCHEMBL525782 0.86 CA1 (0.52) CA1CA2CA7CA9CA4
SCHEMBL291913 0.84 CA1 (0.63) CA1CA2CA7CA9CA4
Methane SCHEMBL27945377 0.84 CA1 (0.63) CA1CA2CA7CA9CA4

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
CN-109627386-A A kind of resin monomer composition 潍坊科技学院 2019-04-16 CN disclosed