SCHEMBL28049939

SCHEMBL28049939

CCCCC(CC1CO1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.42
CA1 P00915 3/20 0.42
CPB2 Q96IY4 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6736019 0.94 CPB2 (0.44) CA2CA1CPB2ALDH1A1
SCHEMBL27982261 0.94 CPB2 (0.44) CA2CA1CPB2ALDH1A1
SCHEMBL7129835 0.81 CA2 (0.55) CA2CA1ALDH1A1MAPK1
SCHEMBL28018300 0.81 ALDH1A1 (0.51) CA2CA1ALDH1A1MAPK1
SCHEMBL5491480 0.78 CA2 (0.57) CA2CA1CPB2ALDH1A1MAPK1
SCHEMBL93242 0.77 CA2 (0.54) CA2CA1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL28068505 0.77 GRIK1 (0.49) CA2ALDH1A1MAPK1
SCHEMBL21052329 0.77 CA2 (0.55) CA2CA1CPB2ALDH1A1MAPK1
SCHEMBL28301437 0.77 CA2 (0.55) CA2CA1CPB2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL27486062 0.77 CA2 (0.55) CA2CA1CPB2ALDH1A1MAPK1

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-102408695-B For the resin combination of sheet material SK ENERGY CO., LTD. (KR) 2016-01-20 CN disclosed