SCHEMBL28138237

SCHEMBL28138237

CCCCC(CC)CNC(CC)O[PH](=O)OCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ATM Q13315 1/20 0.33
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
CA2 P00918 2/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL28138232 0.87 CYP3A4 (0.42) CYP3A4ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL28842599 0.79 TSHR (0.46) CYP3A4ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL28138229 0.78 TSHR (0.53) CYP3A4ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL11551915 0.76 ALDH1A1 (0.57) CYP3A4ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL9459470 0.73 ALDH1A1 (0.53) CYP3A4ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL1961053 0.72 ALDH1A1 (0.48) CYP3A4ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL29276709 0.70 ALDH1A1 (0.50) CYP3A4ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL14988343 0.68 CYP3A4 (0.49) CYP3A4ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL37350 0.68 CYP3A4 (0.38) CYP3A4ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL29082707 0.67 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRL3MBTL1TDP1

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-106521190-B The phosphine of neutrality containing amino extractant is used for the purposes and method of extracting and separating zirconium and/or hafnium 中国科学院长春应用化学研究所 2018-06-26 CN claimed
CN-106521190-A Purpose and method of amido-contained neutral phosphine extracting agent for extracting and separating zirconium and/or hafnium 中国科学院长春应用化学研究所 2017-03-22 CN claimed
CN-106521190-B The phosphine of neutrality containing amino extractant is used for the purposes and method of extracting and separating zirconium and/or hafnium 中国科学院长春应用化学研究所 2018-06-26 CN disclosed
CN-106521190-A Purpose and method of amido-contained neutral phosphine extracting agent for extracting and separating zirconium and/or hafnium 中国科学院长春应用化学研究所 2017-03-22 CN disclosed