SCHEMBL8772504

SCHEMBL8772504

CCCCCCCCC(CCCCCCCCCOCCO)OC(CCCCCCCC)CCCCCCCCCOCCO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
THRB P10828 1/20 0.68
MAPT P10636 1/20 0.68
TSHR P16473 1/20 0.57
USP2 O75604 2/20 0.46
LMNA P02545 2/20 0.41
CES1 P23141 1/20 0.41
CES2 O00748 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
LPAR1 Q92633 6/20 0.39
LPAR3 Q9UBY5 6/20 0.39
LPAR2 Q9HBW0 4/20 0.39

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
SCHEMBL490565 1.00 HTT (0.68) HTTMEN1KMT2ATHRBMAPT
SCHEMBL491059 0.96 MEN1 (0.62) HTTMEN1KMT2ATHRBMAPT
Di(Hydroxyethyl)Ether SCHEMBL5146482 0.96 MEN1 (0.61) HTTMEN1KMT2ATHRBMAPT
Triethylene Glycol SCHEMBL26983266 0.94 MEN1 (0.64) HTTMEN1KMT2ATHRBMAPT
Tetraethylene Glycol SCHEMBL5142076 0.94 MEN1 (0.64) HTTMEN1KMT2ATHRBMAPT
Di(Hydroxyethyl)Ether SCHEMBL5142109 0.94 MEN1 (0.59) HTTMEN1KMT2ATHRBMAPT
Triethylene Glycol SCHEMBL28536690 0.94 MEN1 (0.64) HTTMEN1KMT2ATHRBMAPT
Triethylene Glycol SCHEMBL5143692 0.94 MEN1 (0.64) HTTMEN1KMT2ATHRBMAPT
Tetraethylene Glycol SCHEMBL5141969 0.93 MEN1 (0.62) HTTMEN1KMT2ATHRBMAPT
SCHEMBL490669 0.93 MEN1 (0.57) HTTMEN1KMT2ATHRBMAPT

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-110248651-A Composition comprising sulfated polysaccharides 西纳吉皮肤病学有限公司 2019-09-17 CN disclosed
CN-103347429-A Wipe for use with a germicidal solution KIMBERLY CLARK CO 2013-10-09 CN disclosed
EP-0587554-B1 A PODOPHYLLOTOXIN PREPARATION CONTAINING TRIGLYCERIDES ANALYTECON SA (CH) 1997-10-08 EP disclosed