SCHEMBL6589828

SCHEMBL6589828

CCOC(=O)OCc1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
IDO1 P14902 2/20 0.48
ALDH1A1 P00352 1/20 0.46
AKR1B1 P15121 1/20 0.46
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.42
HSPA5 P11021 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41

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
SCHEMBL1011357 0.91 IDO1 (0.57) CA12CA2CA9IDO1AKR1B1
SCHEMBL7114856 0.89 MAPT (0.43) CA12CA1CA2CA7CA9
SCHEMBL5072688 0.86 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
Catechol SCHEMBL28891846 0.85 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL2230250 0.84 IDO1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2844749 0.82 TDP1 (0.57) CA12CA1CA2CA9IDO1
SCHEMBL21678700 0.81 MAPT (0.52) CA12CA1CA2CA7CA9
SCHEMBL27345802 0.80 IDO1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2385885 0.79 ALDH1A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL12550578 0.79 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1TSHRGAA

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
EP-1414887-A1 METHOD OF POLYCARBONATE PREPARATION GENERAL ELECTRIC COMPANY (US) 2004-05-06 EP disclosed
WO-2003010218-A1 METHOD OF POLYCARBONATE PREPARATION GENERAL ELECTRIC COMPANY (US) 2003-02-06 WO disclosed