SCHEMBL5137770

SCHEMBL5137770

CCCCCCCCOC1(O)C=CC=CC1C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
KCNH2 Q12809 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 2/20 0.37
NAAA Q02083 1/20 0.37
PPARG P37231 3/20 0.37
PLA2G4B P0C869 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4635207 0.90 LMNA (0.41) CES2CES1KCNH2LMNAKDM4E
SCHEMBL7386572 0.85 NPC1 (0.37) CES2CES1LMNATSHRALDH1A1
SCHEMBL2805922 0.78 NPC1 (0.40) CES2CES1HTTTSHRALDH1A1
SCHEMBL5688611 0.77 KCNH2 (0.40) CES2CES1KCNH2LMNAKDM4E
SCHEMBL4653151 0.77 KCNH2 (0.40) CES2CES1KCNH2LMNAKDM4E
SCHEMBL5433591 0.77 KCNH2 (0.41) CES2CES1KCNH2LMNAKDM4E
SCHEMBL3458780 0.74 KCNH2 (0.39) CES2CES1KCNH2LMNAKDM4E
SCHEMBL28737678 0.73 NPC1 (0.38) CES2CES1KCNH2LMNAKDM4E
SCHEMBL29091452 0.72 NPC1 (0.40) CES2CES1KCNH2LMNAHTT
SCHEMBL1906654 0.72 KCNH2 (0.38) CES2CES1KCNH2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681291-A1 NEW AGROCHEMICAL FORMULATIONS BASF SE (DE) 2020-07-22 EP disclosed
WO-2019052898-A1 NEW AGROCHEMICAL FORMULATIONS BASF SE (DE) 2019-03-21 WO disclosed
WO-2017157678-A1 REDUCED PHOTODEGRADATION BY CO-DISSOLVING PYRACLOSTROBIN AND UV ABSORBER BASF SE (DE) 2017-09-21 WO disclosed
EP-1999163-A1 POLYMER DISPERSIONS COMPRISING EFFECT SUBSTANCES AND USE THEREOF BASF SE (DE) 2008-12-10 EP disclosed
EP-1858936-A1 AQUEOUS POLYMER DISPERSIONS COMPRISING EFFECT SUBSTANCES, PROCESSES FOR PREPARING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2007-11-28 EP disclosed
WO-2007104713-A1 POLYMER DISPERSIONS COMPRISING EFFECT SUBSTANCES AND USE THEREOF BASF SE (DE) 2007-09-20 WO disclosed
EP-1727834-A1 AQUEOUS POLYMER DISPERSION CONTAINING EFFECT MATERIALS METHOD FOR PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-12-06 EP disclosed
WO-2006094526-A1 AQUEOUS POLYMER DISPERSIONS COMPRISING EFFECT SUBSTANCES, PROCESSES FOR PREPARING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2006-09-14 WO disclosed
WO-2005087816-A1 AQUEOUS POLYMER DISPERSION CONTAINING EFFECT MATERIALS METHOD FOR PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-09-22 WO disclosed
US-6649770-B1 Exhibit superior hydrolytic stability, handling and storage stability as well as good resistance to extractability when present in stabilized composition CIBA SPECIALTY CHEMICALS CORPORATION 2003-11-18 US disclosed
US-4292411-A ORGANIC BISMUTH COMPOUND, PRIMARY OR SECONDARY AMINE S.A. PRB (BE) 1981-09-29 US disclosed