SCHEMBL8478995

SCHEMBL8478995

CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC.OCC(CO)(CO)CO

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
MEN1 O00255 1/20 0.64
THRB P10828 1/20 0.64
KMT2A Q03164 1/20 0.64
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.52
USP2 O75604 1/20 0.50
CES2 O00748 2/20 0.48
CES1 P23141 1/20 0.48
GBA2 Q9HCG7 10/20 0.44
GBA1 P04062 5/20 0.44

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
SCHEMBL8483594 1.00 HTT (0.64) HTTMEN1THRBKMT2AMAPT
SCHEMBL8481402 1.00 HTT (0.64) HTTMEN1THRBKMT2AMAPT
SCHEMBL4307710 1.00 HTT (0.64) HTTMEN1THRBKMT2AMAPT
SCHEMBL8482624 1.00 HTT (0.64) HTTMEN1THRBKMT2AMAPT
SCHEMBL18954849 1.00 HTT (0.64) HTTMEN1THRBKMT2AMAPT
SCHEMBL8611137 1.00 HTT (0.64) HTTMEN1THRBKMT2AMAPT
SCHEMBL1115457 1.00 HTT (0.64) HTTMEN1THRBKMT2AMAPT
SCHEMBL18954725 0.98 MEN1 (0.60) HTTMEN1THRBKMT2AMAPT
SCHEMBL27576535 0.98 MEN1 (0.60) HTTMEN1THRBKMT2AMAPT
SCHEMBL8114493 0.91 MEN1 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872085-A MIXTURE OF OIL, ALCOHOL, DIALKYLDITHIOCARBAMATE, THIAZOLE AND DIALKYLDITHIOPHOSPHATE FROESCHMANN, ERASMUS (DE) 1999-02-16 US disclosed
US-5726131-A OILS WITH ALCOHOL, PHENOL, DIALKYLDITHIOCARBAMATE, PHOSPHITES AND THIAZOLES FROESCHMANN, ERASMUS (DE) 1998-03-10 US disclosed