SCHEMBL1426575

SCHEMBL1426575

C=COC(C=C)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.49
AKT1 P31749 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
SRC P12931 1/20 0.38
MAPK1 P28482 2/20 0.36
HIF1A Q16665 1/20 0.36
HTT P42858 1/20 0.36
PTPN1 P18031 2/20 0.35
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
CES2 O00748 2/20 0.33
DAO P14920 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNN4 O15554 1/20 0.33
CYP1A2 P05177 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
SCHEMBL11601799 0.83 CES1 (0.62) CES1AKT1ALDH1A1TSHRSRC
SCHEMBL25432591 0.77 CES1 (0.49) CES1AKT1ALDH1A1TSHRSRC
SCHEMBL28601199 0.74 CES1 (0.48) CES1AKT1ALDH1A1TSHRSRC
SCHEMBL19820114 0.72 CES1 (0.66) CES1AKT1ALDH1A1TSHRSRC
SCHEMBL1123626 0.72 CES1 (0.46) CES1AKT1ALDH1A1TSHRSRC
SCHEMBL1721043 0.70 CES1 (0.52) CES1AKT1ALDH1A1TSHRSRC
SCHEMBL274928 0.69 CES1 (0.56) CES1AKT1ALDH1A1TSHRSRC
SCHEMBL3794711 0.68 CES1 (0.42) CES1AKT1ALDH1A1TSHRSRC
SCHEMBL9091938 0.67 CES1 (0.48) CES1AKT1ALDH1A1TSHRSRC
SCHEMBL8641394 0.67 CES1 (0.53) CES1AKT1ALDH1A1TSHRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590386-B2 INK JET LATEX HAVING REACTIVE SURFACTANT STABILIZATION HEWLETT PACKARD DEVELOPMENT CO (US) 2014-10-22 EP claimed
EP-2301102-A1 USE OF A MATERIAL IMPARTING PROTON CONDUCTIVITY IN THE PRODUCTION OF FUEL CELLS Elcomax Membranes Gmbh (DE) 2011-03-30 EP disclosed
WO-2009153258-A1 USE OF A MATERIAL IMPARTING PROTON CONDUCTIVITY IN THE PRODUCTION OF FUEL CELLS ELCOMAX MEMBRANES GMBH (DE) 2009-12-23 WO disclosed
EP-1893403-A1 MULTIPLE COMPONENT MOULDED BODY COMPRISING POLYESTER LAYERS BASF SE (DE) 2008-03-05 EP disclosed
WO-2006134115-A1 MULTIPLE COMPONENT MOULDED BODY COMPRISING POLYESTER LAYERS BASF AKTIENGESELLSCHAFT (DE) 2006-12-21 WO disclosed
US-4684744-A Stilbene derivatives Ciga-Geiby Corporation (US) 1987-08-04 US disclosed