SCHEMBL565176

SCHEMBL565176

C[S+](CC(=O)c1ccccc1)CC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 3/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP3A4 P08684 2/20 0.56
ALOX15 P16050 1/20 0.56
CES1 P23141 1/20 0.56
ALDH1A1 P00352 5/20 0.52
GSK3B P49841 3/20 0.52
PTPN1 P18031 3/20 0.52
HIF1A Q16665 2/20 0.52
TRPA1 O75762 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL12367021 0.90 MAPT (0.50) MAPTKMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL686321 0.86 KMT2A (0.56) MAPTKMT2ASMN1; SMN2HPGDMAPK1
Bromide SCHEMBL394250 0.84 KMT2A (0.54) MAPTKMT2ASMN1; SMN2HPGDMAPK1
Hydrochloric Acid SCHEMBL60929 0.84 KMT2A (0.54) MAPTKMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL12556749 0.83 CES1 (0.46) MAPTKMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL8398448 0.83 KMT2A (0.52) MAPTKMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL562504 0.81 MAPK1 (0.61) MAPTKMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL1128350 0.81 TDP1 (0.50) MAPTKMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL1127720 0.80 CES1 (0.49) MAPTKMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL1598481 0.80 CES1 (0.49) MAPTKMT2ASMN1; SMN2HPGDMAPK1

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-8575248-B2 Polymer composition for microelectronic assembly PROMERUS, LLC (US) 2013-11-05 US disclosed
US-20120034387-A1 Polymer Composition for Microelectronic Assembly PROMERUS LLC (US) 2012-02-09 US disclosed