SCHEMBL15529323

SCHEMBL15529323

CCCCC[Sn](CCCCC)(CCCCC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
DNM1 Q05193 2/20 0.37
PCSK9 Q8NBP7 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
PKM P14618 1/20 0.36
PTGS2 P35354 1/20 0.35
KCNH2 Q12809 1/20 0.35
NAAA Q02083 1/20 0.35

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
SCHEMBL15529887 0.98 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL15529697 0.98 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL4327651 0.98 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL15529722 0.98 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL15529497 0.98 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL15529542 0.96 DNM1 (0.39) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL15529487 0.96 DNM1 (0.39) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL276811 0.93 LTA4H (0.38) LTA4HSIGMAR1CES2CES1DNM1
Hydrogen Sulfide SCHEMBL9374535 0.91 DNM1 (0.37) LTA4HSIGMAR1CES2CES1DNM1
Ethyne SCHEMBL9421934 0.89 LTA4H (0.35) LTA4HSIGMAR1CES2CES1DNM1

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
WO-2013167585-A2 RECYCLING OF ORGANOTIN COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2013-11-14 WO claimed
WO-2013167585-A2 RECYCLING OF ORGANOTIN COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2013-11-14 WO disclosed