SCHEMBL13176502

SCHEMBL13176502

CC(C)OC(=O)C=CC(=O)OCC=CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.50
CA12 O43570 1/20 0.37
AKR1B10 O60218 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
AKR1B1 P15121 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 3/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.31
CYP3A4 P08684 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL12717156 0.84 MAPT (0.39) HCAR2MAPTCACNA1BAPBA1ATM
SCHEMBL801848 0.84 MAPT (0.39) HCAR2MAPTCACNA1BAPBA1ATM
SCHEMBL13380215 0.84 MAPT (0.39) HCAR2MAPTCACNA1BAPBA1ATM
SCHEMBL28414984 0.81 HCAR2 (0.56) HCAR2CA12AKR1B10CA1CA2
SCHEMBL13818868 0.79 MAPT (0.55) HCAR2MAPTCACNA1BAPBA1ATM
SCHEMBL10824360 0.79 HCAR2 (0.55) HCAR2CA12AKR1B10CA1CA2
SCHEMBL10824365 0.79 HCAR2 (0.55) HCAR2CA12AKR1B10CA1CA2
SCHEMBL31621726 0.77 HCAR2 (0.52) HCAR2MAPTCACNA1BAPBA1ATM
SCHEMBL177747 0.76 HCAR2 (0.80) HCAR2CA12AKR1B10CA1CA2
SCHEMBL3516696 0.76 HCAR2 (0.55) HCAR2CA12AKR1B10CA1CA2

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
EP-1988136-B1 Ink composition, inkjet recording method, printed material, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORP (JP) 2010-09-01 EP disclosed