SCHEMBL28516546

SCHEMBL28516546

COC(=O)c1ccc(O)cc1C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.62
▸ CA1 P00915 6/20 0.62
▸ CA2 P00918 6/20 0.62
▸ CA7 P43166 6/20 0.62
▸ CA9 Q16790 6/20 0.62
▸ CA14 Q9ULX7 6/20 0.62
▸ PDK2 Q15119 1/20 0.62
▸ PDK4 Q16654 1/20 0.62
▸ ALDH1A1 P00352 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NR1I2 O75469 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ MIF P14174 1/20 0.50
▸ TYR P14679 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ GAA P10253 3/20 0.46
▸ EGFR P00533 2/20 0.44

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
SCHEMBL17935123 0.86 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL27761528 0.84 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL1940800 0.84 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL13945805 0.82 CFTR (0.49) CA12CA1CA2CA7CA9
SCHEMBL25950764 0.82 NR4A2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL28918215 0.82 KDM4E (0.59) CA12CA1CA2CA7CA9
SCHEMBL29654078 0.81 ALDH1A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL38809 0.81 ALDH1A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL10545250 0.81 ALDH1A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL14995733 0.81 ABL1 (0.60) CA12CA1CA2CA7CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112011086-A Composite antioxidant, plastic composition and plastic product thereof 双键化工(上海)有限公司 2020-12-01 — — CN claimed
CN-112011086-A Composite antioxidant, plastic composition and plastic product thereof 双键化工(上海)有限公司 2020-12-01 — — CN disclosed
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