SCHEMBL28045176

SCHEMBL28045176

[CH2]CCc1c(OC)cccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL9047499 0.87 SMN1; SMN2 (0.45) CA1CA2CA7CA9CA12
SCHEMBL9827505 0.84 SMN1; SMN2 (0.42) CA1CA2CA7CA9CA12
SCHEMBL1547876 0.81 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL8564056 0.79 CA1 (0.48) CA1CA2CA7CA9CA12
Formaldehyde SCHEMBL27470199 0.78 ALOX5 (0.43) CA1CA2CA7CA9CA12
SCHEMBL9045828 0.78 SMN1; SMN2 (0.41) CA1CA2CA7CA9CA12
SCHEMBL6963550 0.77 TAAR1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL9166538 0.77 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL9317755 0.77 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL5782701 0.77 TP53 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105121013-B The manufacture method of cyclic carbonate catalyst for synthesizing 丸善石油化学株式会社 2017-10-20 CN disclosed
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