SCHEMBL9743181

SCHEMBL9743181

CC(C)c1ccccc1-c1ccc(O)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.64
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
TRPA1 O75762 1/20 0.49
ALOX5 P09917 7/20 0.48
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL28762440 0.89 GABRA1 (0.55) APPCA1CA2CA12CA9
SCHEMBL28003619 0.87 CA1 (0.50) APPCA1CA2CA12CA9
SCHEMBL8346295 0.86 TLR8 (0.49) APPCA1CA2CA12CA9
SCHEMBL22453135 0.84 ESR2 (0.53) APPCA1CA2CA12CA9
SCHEMBL8817638 0.84 CA1 (0.51) APPCA1CA2CA12CA9
SCHEMBL9742690 0.83 GABRA1 (0.52) APPCA1CA2CA12CA9
SCHEMBL4241557 0.79 APP (0.50) APPTRPA1ALOX5LMNASLC6A2
SCHEMBL1513629 0.79 CA1 (0.56) CA1CA2CA12CA9GABRA1
SCHEMBL11833116 0.78 CA12 (0.46) APPCA1CA2CA12CA9
SCHEMBL30865718 0.78 TRPA1 (0.51) CA1CA2CA12CA9GABRA1

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
US-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed