SCHEMBL8003148

SCHEMBL8003148

C=CCOCC=C.O=C(O)CC(O)C(=O)OC(=O)C(O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CASP1 P29466 7/20 0.36
SLC22A6 Q4U2R8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.31
PKM P14618 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
SCHEMBL741143 0.86 SMN1; SMN2 (0.38) SMN1; SMN2CASP1SLC22A6
Malic Acid SCHEMBL3809544 0.85 SMN1; SMN2 (0.60) SMN1; SMN2CA1CA2CA7CASP1
Allyl Alcohol SCHEMBL9630023 0.85 SMN1; SMN2 (0.43) SMN1; SMN2CASP1SLC22A6TDP1
Ethylene SCHEMBL459401 0.83 TSHR (0.37) SMN1; SMN2CASP1CYP3A4PKM
SCHEMBL7489183 0.82 SMN1; SMN2 (0.44) SMN1; SMN2CASP1SLC22A6TDP1CYP3A4
SCHEMBL367991 0.82 SMN1; SMN2 (0.44) SMN1; SMN2CASP1SLC22A6TDP1CYP3A4
Ethylene SCHEMBL3909087 0.82 SMN1; SMN2 (0.52) SMN1; SMN2SLC22A6TDP1
SCHEMBL180343 0.82 SMN1; SMN2 (0.57) SMN1; SMN2SLC22A6TDP1
SCHEMBL9461207 0.80 TSHR (0.39) SMN1; SMN2CASP1TDP1
Malic Acid SCHEMBL28486197 0.80 SMN1; SMN2 (0.54) SMN1; SMN2CA1CA2CA7CASP1

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
WO-2000009622-A1 HOLOGRAPHIC IMAGE ADHESIVE TAPE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-02-24 WO disclosed