SCHEMBL8900561

SCHEMBL8900561

CCC(CO)OCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
SLCO1B1 Q9Y6L6 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
SCHEMBL1133543 0.91 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL7170199 0.87 ALDH1A1 (0.37) MEN1KMT2ATSHRTHRBHTT
SCHEMBL8669171 0.86
SCHEMBL31602068 0.83 MEN1 (0.45) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL1665087 0.83 MEN1 (0.45) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL358536 0.83 MEN1 (0.45) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL11191176 0.83 MEN1 (0.45) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL12075932 0.83 ALDH1A1 (0.32) ALDH1A1CNR1CNR2
SCHEMBL8428199 0.83 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL25363941 0.80 TSHR (0.52) MEN1KMT2ATSHRMAPK1THRB

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-5698625-A FREE-RADICAL POLYMERIZING A MONOMER MIXTURE CONTAINING UNSATURATED FATTY ACID, METHACRYLIC ACID, POLYOXYALKYLENE METHACRYATE, METHACRYLATE OR VINYL COMPOUNDS, COPOLYMERIZING WITH PREESTERIFIED ALKYD RESIN MIXTURE, THEN EMULSIFIFYING VIANOVA RESINS AKTIENGESELLSCHAFT (AT) 1997-12-16 US disclosed
US-3953408-A LITHOGRAPHIC PLATES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1976-04-27 US disclosed