SCHEMBL13633573

SCHEMBL13633573

Cc1ccc(/C=C/c2ccc3c(C(=O)Oc4c(C)cc(C(=O)O)cc4C)c4ccccc4[n+](CCCCS(=O)(=O)O)c3c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
OPRK1 P41145 1/20 0.30
HTT P42858 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
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
SCHEMBL4185433 0.94 TTR (0.35) TTRMEN1ALDH1A1POLBPKM
SCHEMBL13633607 0.91 MAPT (0.35) L3MBTL1
SCHEMBL4186120 0.88 PKM (0.36) MEN1ALDH1A1POLBPKMOPRK1
SCHEMBL13633676 0.88 PKM (0.36) MEN1ALDH1A1POLBPKMOPRK1
SCHEMBL13633666 0.88
SCHEMBL10091801 0.86 ALDH1A1 (0.35) TTRMEN1ALDH1A1POLBHTT
SCHEMBL4178411 0.85 NPC1 (0.35) MEN1ALDH1A1PKMKMT2ASMN1; SMN2
SCHEMBL4191631 0.85 LCK (0.34) SMN1; SMN2
SCHEMBL13979979 0.83 GAA (0.32) MEN1ALDH1A1POLBHTTKMT2A
SCHEMBL3042292 0.83 HPGD (0.39) MEN1ALDH1A1POLBKMT2ASMN1; SMN2

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-7611909-B1 Acridinium compound for use in the concurrent detection of target analytes in immunoassays or nucleic acid assays SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-11-03 US disclosed