SCHEMBL28509682

SCHEMBL28509682

CCCCCCOc1ccc(CCCCC)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.55
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
LPAR2 Q9HBW0 1/20 0.55
THRB P10828 4/20 0.50
HTT P42858 3/20 0.50
MAPT P10636 3/20 0.50
THRA P10827 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
RAD52 P43351 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
APAF1 O14727 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BIRC5 O15392 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8561443 0.85 PPARG (0.56) MAPT
SCHEMBL9398737 0.83 PTPN11 (0.51) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL10877882 0.83 PTPN11 (0.51) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL11522071 0.82 HTT (0.69) S1PR1THRBHTTMAPTMEN1
SCHEMBL2208315 0.81 PTPN11 (0.55) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL10873504 0.81 S1PR2 (0.49) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL12603170 0.80 S1PR2 (0.51) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL8000546 0.80 THRA (0.52) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL28018164 0.80 THRA (0.52) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL4737345 0.79 GPR3 (0.54) KDM4EALDH1A1LMNA

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-112512996-A Novel agricultural compositions 阿鲁恩·维塔尔·沙旺特 2021-03-16 CN disclosed
CN-112204000-A Novel crop nutrition and fortification compositions 阿鲁恩·维塔尔·沙旺特 2021-01-08 CN disclosed
CN-112188835-A Novel crop nutrition and fortification compositions 阿鲁恩·维塔尔·沙旺特 2021-01-05 CN disclosed