SCHEMBL11545359

SCHEMBL11545359

C[Sn]C.O=C(CCS)OCCOC(=O)CCS

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.45
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
DNM1 Q05193 1/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2C P28335 1/20 0.32
APP P05067 1/20 0.32
NAAA Q02083 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ACE P12821 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3519794 0.93 ADRA2A (0.41) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL98980 0.90 DGKA (0.46) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL16925646 0.84 NAAA (0.48) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL4983843 0.84 DGKA (0.43) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL13398932 0.84 DGKA (0.54) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL98263 0.83 DGKA (0.41) DGKAADRA2AADRA1AMAPTBLM
Ethylene Glycol SCHEMBL2593485 0.83 DGKA (0.41) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL98157 0.83 DGKA (0.41) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL98818 0.83 DGKA (0.41) DGKAADRA2AADRA1AMAPTBLM
Cyclopropane SCHEMBL99057 0.83 DGKA (0.41) DGKAADRA2AADRA1AMAPTBLM

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
US-4179432-A 2-HYDROXYBENZOPHENONE, ORGANOTIN MERCAPTIDE PHOTOSTABILITY CINCINNATI MILACRON CHEMICALS, INC. (US) 1979-12-18 US disclosed