SCHEMBL28902452

SCHEMBL28902452

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC.CCCCCCl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.62
PAM P19021 2/20 0.56
TSHR P16473 3/20 0.53
MAPT P10636 1/20 0.53
CYP1A2 P05177 1/20 0.52
LMNA P02545 4/20 0.51
ALDH1A1 P00352 3/20 0.51
DNM1 Q05193 1/20 0.51
KDM4E B2RXH2 1/20 0.50
DUSP3 P51452 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FAAH O00519 1/20 0.49
PRKCA P17252 1/20 0.47
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCD Q05655 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1364872 0.94 CYP1A2 (0.57) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL1366491 0.94 CYP1A2 (0.57) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL6080088 0.94 CYP1A2 (0.57) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL1365271 0.94 CYP1A2 (0.57) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL1363140 0.94 CYP1A2 (0.57) DGKAPAMTSHRMAPTCYP1A2
Methylene Chloride SCHEMBL3487953 0.92 DGKA (0.67) DGKAPAMTSHRMAPTCYP1A2
Methylene Chloride SCHEMBL1190981 0.92 DGKA (0.67) DGKAPAMTSHRMAPTCYP1A2
SCHEMBL1364855 0.92 CYP1A2 (0.59) DGKAPAMTSHRCYP1A2ALDH1A1
Methylene Chloride SCHEMBL3349968 0.90 DGKA (0.64) DGKAPAMTSHRMAPTCYP1A2
Methylene Chloride SCHEMBL6898274 0.90 DGKA (0.64) DGKAPAMTSHRMAPTCYP1A2

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-115433829-A Compound, preparation method and application 福建省长汀金龙稀土有限公司 2022-12-06 CN disclosed
CN-113388735-B Compound, preparation method and application 福建省长汀金龙稀土有限公司 2022-11-29 CN disclosed
CN-113388735-A Compound, preparation method and application 厦门钨业股份有限公司 2021-09-14 CN disclosed