SCHEMBL28580296

SCHEMBL28580296

O=C1OCCCCCCCCCCCCOC(=O)c2ccc1cc2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
NAMPT P43490 1/20 0.36
CLK1 P49759 2/20 0.33
DYRK1A Q13627 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PGR P06401 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 3/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
PTGS1 P23219 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL3174046 1.00 CA1 (0.40) CA1CA9NAMPTCLK1DYRK1A
SCHEMBL197445 1.00 CA1 (0.40) CA1CA9NAMPTCLK1DYRK1A
SCHEMBL9189666 1.00 CA1 (0.40) CA1CA9NAMPTCLK1DYRK1A
SCHEMBL597282 1.00 CA1 (0.40) CA1CA9NAMPTCLK1DYRK1A
SCHEMBL2483184 1.00 CA1 (0.40) CA1CA9NAMPTCLK1DYRK1A
SCHEMBL6432211 1.00 CA1 (0.40) CA1CA9NAMPTCLK1DYRK1A
SCHEMBL4157033 1.00 CA1 (0.40) CA1CA9NAMPTCLK1DYRK1A
SCHEMBL5616560 0.97 CA1 (0.39) CA1CA9NAMPTCLK1DYRK1A
SCHEMBL3873588 0.97 CA1 (0.42) CA1CA9NAMPTCLK1DYRK1A
SCHEMBL36010 0.97 CA1 (0.42) CA1CA9NAMPTCLK1DYRK1A

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-108198884-B Damp-heat resistant solar cell back plate and manufacturing method thereof 帝斯曼尚善太阳能科技(苏州)有限公司 2021-06-15 CN disclosed