SCHEMBL28944014

SCHEMBL28944014

C=COC(=O)c1ccc(C(=O)OC=C)cc1.[NaH].[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37
SNCA P37840 1/20 0.36
TSHR P16473 1/20 0.34
AKT1 P31749 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL295796 0.97 ALDH1A1 (0.40) ALDH1A1CA1CA2CA12CA7
SCHEMBL19506902 0.91 PDCD1 (0.41) ALDH1A1CA1CA2CA12CA9
SCHEMBL787166 0.89 TSHR (0.52) ALDH1A1CA1CA2CA12CA7
SCHEMBL689989 0.89 CA1 (0.54) ALDH1A1CA1CA2CA12CA7
Benzoic Acid Vinyl Ester SCHEMBL5014521 0.89 LMNA (0.54) ALDH1A1TDP1F2LMNATSHR
Acetic Acid SCHEMBL27275952 0.89 TSHR (0.40) ALDH1A1CA1CA2CA12CA7
SCHEMBL24858702 0.87 CA1 (0.57) ALDH1A1CA1CA2CA12CA7
SCHEMBL10951785 0.87 LMNA (0.50) ALDH1A1TDP1F2LMNATSHR
SCHEMBL714705 0.87 TDP1 (0.57) ALDH1A1TDP1LMNAMAPTMEN1
SCHEMBL24858286 0.87 ALDH1A1 (0.46) ALDH1A1CA1CA2ALDH5A1ABAT

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-114563848-A Impact-resistant protective sleeve for optical cable and preparation method thereof 李慧 2022-05-31 CN disclosed