SCHEMBL4018873

SCHEMBL4018873

C[CH]CCCOCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CES2 O00748 2/20 0.43
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
CES1 P23141 1/20 0.39
RECQL P46063 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
BLM P54132 1/20 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
SCHEMBL16057132 1.00 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL6940829 0.91 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL6934840 0.91 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL5224444 0.91 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL6936495 0.91 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL6933555 0.91 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL6934123 0.91 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL6936448 0.91 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL9625811 0.91 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL5222263 0.88 MEN1 (0.48) HTTMEN1THRBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009090063-A1 STEROID SAPOGENIN, ANDROSTANE AND TRITERPENOID SAPOGENIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF INFECTIOUS DISEASES JADO TECHNOLOGIES GMBH (DE) 2009-07-23 WO disclosed