SCHEMBL19807196

SCHEMBL19807196

CC(C)(C)C(=O)Oc1ccc(O)c2c1C(=O)C=CC2=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.69
▸ AURKA O14965 2/20 0.52
▸ CDC25B P30305 2/20 0.52
▸ AURKB Q96GD4 2/20 0.52
▸ CYP1A1 P04798 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ TXNRD1 Q16881 1/20 0.52
▸ TXNRD3 Q86VQ6 1/20 0.52
▸ COPS5 Q92905 1/20 0.52
▸ TXNRD2 Q9NNW7 1/20 0.52
▸ ELANE P08246 13/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL19798280 0.85 PIM1 (0.61) PIM1AURKACDC25BAURKBCYP1A1
SCHEMBL25139348 0.80 PIM1 (0.55) PIM1AURKACDC25BAURKBCYP1A1
SCHEMBL19798278 0.77 PIM1 (0.73) PIM1AURKACDC25BAURKBCYP1A1
SCHEMBL16236717 0.76 ELANE (0.41) PIM1ELANECHEK1ALDH1A1CYP3A4
SCHEMBL17265615 0.75 PIM1 (0.66) PIM1AURKACDC25BAURKBCYP1A1
SCHEMBL9006566 0.73 PIM1 (0.63) PIM1AURKACDC25BAURKBCYP1A1
SCHEMBL417088 0.73 MAPT (0.48) ELANECHEK1LMNAMEN1MAPT
SCHEMBL21281775 0.73 ELANE (0.47) ELANECHEK1ALDH1A1CYP3A4LMNA
Naphthazalin SCHEMBL149279 0.72 TXNRD1 (1.00) PIM1AURKACDC25BAURKBCYP1A1
Naphthazalin SCHEMBL29353283 0.72 TXNRD1 (1.00) PIM1AURKACDC25BAURKBCYP1A1

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
US-20180024435-A1 RESIST COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-01-25 — — US disclosed
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