SCHEMBL10891717

SCHEMBL10891717

Oc1cc(I)c(O)c(I)c1I

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.48
ALB P02768 1/20 0.39
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
ERN1 O75460 1/20 0.34
ACLY P53396 1/20 0.33
ACE P12821 1/20 0.33
PTGS1 P23219 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MAPK14 Q16539 2/20 0.32
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32
PDGFRA P16234 1/20 0.32
KDR P35968 1/20 0.32
MAPK8 P45983 1/20 0.32

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
SCHEMBL12817414 0.79 TTR (0.50) TTRALBMEN1LMNAHTT
SCHEMBL1082738 0.79 TTR (0.36) TTRACEPTGS1
SCHEMBL69776 0.78 TTR (0.56) TTRALBMEN1LMNAHTT
SCHEMBL28865128 0.77 TTR (0.41) TTRALBMEN1LMNAHTT
Lithium SCHEMBL30477969 0.77 TTR (0.35) TTRACEPTGS1
SCHEMBL15360551 0.77 TTR (0.41) TTRALBMEN1LMNAHTT
SCHEMBL6720850 0.73 TTR (0.50) TTRALBMEN1LMNAHTT
SCHEMBL19730501 0.73 TTR (0.50) TTRALBMEN1LMNAHTT
SCHEMBL24110793 0.71 TPMT (0.43) TTRALBMEN1LMNAHTT
SCHEMBL8410940 0.71 TTR (0.48) TTRALBMEN1LMNAHTT

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-4571435-A SUSTAINED RELEASE TENNESSEE VALLEY AUTHORITY (US) 1986-02-18 US disclosed
US-4379939-A Preparation of nitrogen fertilizers from oxalate esters prepared by the oxidative carbonylation of alcohols over noble metal catalysts utilizing regenerable 2,5-cyclohexadiene-1,4-dione oxidants TENNESSEE VALLEY AUTHORITY (US) 1983-04-12 US disclosed