SCHEMBL28061526

SCHEMBL28061526

[CH2]Cc1cc(C)c(OCCCOC)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SCN8A Q9UQD0 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ATM Q13315 1/20 0.31
MAPK1 P28482 2/20 0.31
THRB P10828 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 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
SCHEMBL28061512 0.91 S1PR2 (0.34) S1PR2S1PR1S1PR3LPAR2MAPT
SCHEMBL13313279 0.76 KMT2A (0.49) MAPTL3MBTL1KMT2AMEN1KDM4E
SCHEMBL27986851 0.75 S1PR1 (0.38) S1PR2S1PR1S1PR3LPAR2MAPT
SCHEMBL27986850 0.75 S1PR1 (0.41) S1PR2S1PR1S1PR3LPAR2KMT2A
SCHEMBL28091410 0.74 MAPT (0.35) S1PR2S1PR1S1PR3LPAR2MAPT
SCHEMBL13349221 0.73 KMT2A (0.37) S1PR2S1PR1S1PR3LPAR2MAPT
SCHEMBL13313284 0.73 LMNA (0.53) MAPTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL28042959 0.72 ALDH1A1 (0.53) MAPTSCN8ASMN1; SMN2KMT2AMEN1
SCHEMBL28091413 0.72 SCN4A (0.42) MAPTSCN8AALDH1A1CYP1A2CYP2D6
SCHEMBL6132273 0.72 KDM4E (0.54) S1PR2S1PR1S1PR3LPAR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105906617-A Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2016-08-31 CN disclosed
CN-103038231-B Modulators of HEC1 activity and methods thereof Taivex Therapeutics Corp. (CN) 2016-04-20 CN disclosed