SCHEMBL28358065

SCHEMBL28358065

CCC(CC)CCCCCCCCCCCCCCC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
SOAT1 P35610 2/20 0.45
MEN1 O00255 1/20 0.45
FAAH O00519 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
CA2 P00918 3/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.41
GSTK1 Q9Y2Q3 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39
CA1 P00915 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL10762027 1.00 CYP3A4 (0.45) CYP3A4SOAT1MEN1FAAHTP53
SCHEMBL20510151 0.91 CA2 (0.47) CYP3A4SOAT1MEN1FAAHTP53
SCHEMBL9307448 0.90 CA2 (0.58) CYP3A4SOAT1MEN1FAAHTP53
SCHEMBL7623785 0.90 ALDH1A1 (0.54) CYP3A4SOAT1MEN1FAAHTP53
SCHEMBL28776256 0.90 SOAT1 (0.55) CYP3A4SOAT1MEN1FAAHTP53
SCHEMBL11663150 0.90 CA2 (0.58) CYP3A4SOAT1MEN1FAAHTP53
SCHEMBL7625928 0.90 ALDH1A1 (0.54) CYP3A4SOAT1MEN1FAAHTP53
SCHEMBL7624351 0.90 ALDH1A1 (0.54) CYP3A4SOAT1MEN1FAAHTP53
SCHEMBL13127898 0.90 CA2 (0.58) CYP3A4SOAT1MEN1FAAHTP53
SCHEMBL14836357 0.87 CA2 (0.60) CYP3A4SOAT1MEN1FAAHTP53

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-110777267-B Extraction system for separating calcium from calcium-containing brine by using secondary amide/tertiary amide composite solvent to extract lithium, extraction method and application thereof 湘潭大学 2021-05-25 CN disclosed
CN-110643833-B Extraction system for separating magnesium from magnesium-containing brine by using secondary amide/tertiary amide composite solvent and extracting lithium, extraction method and application thereof 湘潭大学 2021-04-20 CN disclosed
CN-110777267-A Extraction system for separating calcium from calcium-containing brine by using secondary amide/tertiary amide composite solvent to extract lithium, extraction method and application thereof 湘潭大学 2020-02-11 CN disclosed
CN-110643833-A Extraction system for separating magnesium from magnesium-containing brine by using secondary amide/tertiary amide composite solvent and extracting lithium, extraction method and application thereof 湘潭大学 2020-01-03 CN disclosed