SCHEMBL7797570

SCHEMBL7797570

COC(=O)C(C)(C)c1ccc(C=O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.57
CNR1 P21554 1/20 0.57
TYR P14679 2/20 0.50
TRIM24 O15164 2/20 0.50
TRIM33 Q9UPN9 2/20 0.50
ERN1 O75460 4/20 0.39
KCNN4 O15554 1/20 0.39
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
BRS3 P32247 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL6688756 0.88 CNR1 (0.54) CNR2CNR1TYRTRIM24TRIM33
SCHEMBL30468694 0.82 CNR2 (0.65) CNR2CNR1KCNN4CA1CA2
SCHEMBL29074070 0.82 CNR2 (0.65) CNR2CNR1KCNN4CA1CA2
SCHEMBL1527058 0.78 ALDH1A1 (0.57) TYRTRIM24TRIM33ERN1POLB
SCHEMBL23582257 0.78 CNR2 (0.60) CNR2CNR1KCNN4POLBMAPT
SCHEMBL31357589 0.78 CNR2 (0.60) CNR2CNR1KCNN4POLBMAPT
SCHEMBL5643460 0.76 TYR (0.50) TYRTRIM24TRIM33ERN1POLB
SCHEMBL8974321 0.75 CNR1 (0.54) CNR2CNR1KCNN4POLBMAPT
SCHEMBL1124530 0.75 ALDH1A1 (0.52) CNR2CNR1TRIM24TRIM33KCNN4
SCHEMBL14677065 0.75 CNR1 (0.50) CNR2CNR1ERN1KCNN4POLB

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-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed