SCHEMBL28520091

SCHEMBL28520091

COc1cc(C(C)=O)cc(OC)c1CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 1/20 0.45
NFKB1 P19838 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA3 P07451 1/20 0.44
PKM P14618 1/20 0.44
CA5A P35218 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
TPMT P51580 1/20 0.43

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
SCHEMBL12553293 0.81 ALDH1A1 (0.49) ALDH1A1TSHRGAAHSD17B10NFKB1
SCHEMBL1599400 0.81 HSD17B10 (0.56) LMNAALDH1A1TSHRGAAHSD17B10
SCHEMBL13141010 0.81 LMNA (0.62) LMNAALDH1A1TSHRCA12CA1
SCHEMBL12303222 0.81 LMNA (0.62) LMNAALDH1A1TSHRCA12CA1
SCHEMBL5485861 0.81 GSK3B (0.46) ALDH1A1TSHRGAAHSD17B10NFKB1
SCHEMBL4548527 0.78 LMNA (0.40) LMNAALDH1A1TSHRGAAHSD17B10
SCHEMBL8862701 0.77 NR1H4 (0.58) LMNAALDH1A1GAAHSD17B10CA12
SCHEMBL16450475 0.76 LMNA (0.56) LMNAALDH1A1TSHRCA12CA1
SCHEMBL14732689 0.75 LMNA (0.55) LMNAALDH1A1GAAPKMHPGD
SCHEMBL8683168 0.75 CA12 (0.55) LMNAALDH1A1TSHRGAAHSD17B10

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-112334444-A Polymerizable absorbers for UV and high energy visible light 强生视力健公司 2021-02-05 CN disclosed