SCHEMBL28056121

SCHEMBL28056121

CCCCCCOP(=O)(OCCCCCC)C(N)CC(CC)CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LPAR3 Q9UBY5 6/20 0.42
LPAR2 Q9HBW0 5/20 0.42
LPAR1 Q92633 2/20 0.42
LAP3 P28838 2/20 0.40
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CDC25A P30304 1/20 0.36
AGTR1 P30556 1/20 0.36
AKT1 P31749 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
TRPM8 Q7Z2W7 3/20 0.34
S1PR2 O95136 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34

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
SCHEMBL31197917 0.86 CYP3A4 (0.50) CYP3A4L3MBTL1LAP3ALDH1A1TDP1
SCHEMBL31197927 0.84 CYP3A4 (0.62) CYP3A4L3MBTL1LAP3ALDH1A1TDP1
SCHEMBL7114499 0.80 LAP3 (0.56) CYP3A4LPAR3LPAR2LPAR1LAP3
SCHEMBL19349539 0.80 LAP3 (0.56) CYP3A4LPAR3LPAR2LPAR1LAP3
SCHEMBL19349486 0.77 CYP3A4 (0.60) CYP3A4L3MBTL1LAP3ALDH1A1TDP1
SCHEMBL11040069 0.76 LAP3 (0.47) CYP3A4LPAR3LPAR2LPAR1LAP3
Ammonia Solution, Strong SCHEMBL7523959 0.76 LPAR3 (0.59) CYP3A4L3MBTL1LPAR3LPAR2LPAR1
SCHEMBL19349696 0.74 CYP3A4 (0.66) CYP3A4L3MBTL1LAP3ALDH1A1TDP1
SCHEMBL31197916 0.74 CYP3A4 (0.47) CYP3A4L3MBTL1LAP3ALDH1A1TDP1
SCHEMBL7591038 0.73 CYP3A4 (0.80) CYP3A4L3MBTL1LPAR3LPAR2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105734288-B The phosphine extractant of neutrality containing amino is used for the purposes and method of extraction separation of quadravalence cerium 中国科学院长春应用化学研究所 2019-07-19 CN disclosed
CN-105734286-B The method of separating cerium fluorine and thorium 中国科学院长春应用化学研究所 2017-09-22 CN disclosed
CN-105734289-B The neutral phosphine extractant containing amino is used for the purposes and method of extract and separate thorium 中国科学院长春应用化学研究所 2017-09-22 CN disclosed
CN-105734287-B A kind of method of separation of quadravalence cerium, thorium and rare earth 中国科学院长春应用化学研究所 2017-07-21 CN disclosed
CN-105734289-A Purpose and method of amino-contained neutral phosphine extraction agent for extraction and separation of thorium 中国科学院长春应用化学研究所 2016-07-06 CN disclosed
CN-105734288-A Purpose and method of amino-contained neutral phosphine extraction agent for extraction and separation of tetravalent cerium 中国科学院长春应用化学研究所 2016-07-06 CN disclosed