SCHEMBL28045166

SCHEMBL28045166

COc1ccccc1Pc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA14 Q9ULX7 1/20 0.44
RAB9A P51151 4/20 0.39
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
ACHE P22303 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
HSD11B1 P28845 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36

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
SCHEMBL4444463 0.86 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL30810811 0.86 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL28379424 0.84 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL4888931 0.84 CA1 (0.48) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL2154353 0.84 CA1 (0.48) CA1CA2CA7CA9CA12
Lithium SCHEMBL30810804 0.84 CA1 (0.48) CA1CA2CA7CA9CA12
Ethane SCHEMBL27774044 0.84 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL49810 0.81 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL29591833 0.81 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL28979626 0.81 MAPT (0.46) CA1CA2CA7CA9CA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105163853-A Method for manufacturing catalyst for synthesizing cyclic carbonate MARUZEN PETROCHEM CO LTD 2015-12-16 CN disclosed
CN-105163854-A Method for producing catalyst for synthesizing cyclic carbonate NAT INST OF ADVANCED IND SCIEN 2015-12-16 CN disclosed
CN-105121013-A Method for producing catalyst for cyclic carbonate synthesis MARUZEN PETROCHEM CO LTD 2015-12-02 CN disclosed