SCHEMBL9004484

SCHEMBL9004484

CCOP(=O)(OCC)C(c1ccc(C=Cc2ccc(C(P(=O)(O)O)P(=O)(O)O)cc2)cc1)P(=O)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
SRC P12931 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
EED O75530 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NR1I2 O75469 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL9004471 0.91 POLB (0.50) POLBGAASRCALDH1A1LMNA
SCHEMBL9004470 0.86 POLB (0.46) POLBGAASRCALDH1A1LMNA
SCHEMBL9169133 0.80 POLB (0.44) POLBGAASRCALDH1A1LMNA
SCHEMBL5664657 0.77 POLB (0.50) POLBGAAALDH1A1LMNAMAPT
SCHEMBL12479086 0.77 POLB (0.41) POLBGAASRCALDH1A1LMNA
SCHEMBL7088667 0.75 CA12 (0.49) POLBGAAALDH1A1LMNAMAPT
SCHEMBL5754677 0.74 KMT2A (0.55) POLBGAAPTGS2ALDH1A1LMNA
SCHEMBL7160912 0.73 POLB (0.68) POLBSRCALDH1A1LMNAMAPT
SCHEMBL4320046 0.72 POLB (0.40) POLBGAASRCLMNAMAPT
SCHEMBL7828967 0.71 POLB (0.44) POLBGAAALDH1A1LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442097-B1 Poly(arylenevinylene siloxanes) CONSORTIUM ELEKTROCHEM IND (DE) 1996-10-09 EP disclosed
US-5185419-A POLY(ARYLENEVINYLENESILOXANES) COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE GMBH (DE) 1993-02-09 US disclosed
EP-0442097-A2 Poly(arylenevinylene siloxanes) Consortium für elektrochemische Industrie GmbH (DE) 1991-08-21 EP disclosed