SCHEMBL13552179

SCHEMBL13552179

O=C(/C=C/c1ccc(/C=C/C(=O)OCc2ccccc2)cc1)OCc1ccccc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.93
▸ AKR1B10 O60218 7/20 0.90
▸ AKR1B1 P15121 7/20 0.90
▸ CA12 O43570 5/20 0.90
▸ CA7 P43166 5/20 0.90
▸ CA9 Q16790 5/20 0.90
▸ CA14 Q9ULX7 5/20 0.90
▸ CA4 P22748 4/20 0.90
▸ CA6 P23280 4/20 0.90
▸ CA5A P35218 4/20 0.90
▸ CA5B Q9Y2D0 4/20 0.90
▸ TTR P02766 2/20 0.75
▸ HCAR2 Q8TDS4 1/20 0.69
▸ MAOB P27338 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.60
▸ POLB P06746 1/20 0.60
▸ GSK3B P49841 2/20 0.58
▸ BACE1 P56817 2/20 0.58
▸ CA1 P00915 3/20 0.56
▸ CA2 P00918 1/20 0.56

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
Benzyl Cinnamate SCHEMBL43213 0.96 LMNA (1.00) LMNAAKR1B10AKR1B1CA12CA7
Benzyl Cinnamate SCHEMBL1871854 0.96 LMNA (1.00) LMNAAKR1B10AKR1B1CA12CA7
Benzyl Cinnamate SCHEMBL901152 0.96 LMNA (1.00) LMNAAKR1B10AKR1B1CA12CA7
Benzyl Cinnamate SCHEMBL43212 0.96 LMNA (1.00) LMNAAKR1B10AKR1B1CA12CA7
SCHEMBL4501585 0.95 AKR1B10 (1.00) LMNAAKR1B10AKR1B1CA12CA7
SCHEMBL22071063 0.95 LMNA (0.84) LMNAAKR1B10AKR1B1CA12CA7
SCHEMBL4501587 0.95 AKR1B10 (1.00) LMNAAKR1B10AKR1B1CA12CA7
SCHEMBL15419990 0.95 AKR1B10 (1.00) LMNAAKR1B10AKR1B1CA12CA7
SCHEMBL29641956 0.94 LMNA (0.82) LMNAAKR1B10AKR1B1CA12CA7
SCHEMBL890443 0.94 LMNA (0.82) LMNAAKR1B10AKR1B1CA12CA7

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
WO-2010006889-A2 COUPLING AGENTS FOR FILLED RUBBERS BASF SE (DE) 2010-01-21 — — WO disclosed
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