SCHEMBL9103077

SCHEMBL9103077

Cc1c(O[O])cccc1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.38
AR P10275 1/20 0.37
ELANE P08246 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ABCB1 P08183 1/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR2 Q92731 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4962205 0.87 GRM6 (0.38) GRM6ARELANEADRA1AADRA1B
SCHEMBL4352323 0.81 MEN1 (0.46) GRM6ARUTS2RMEN1ESR1
SCHEMBL7756830 0.80 UTS2R (0.35) UTS2RABCB1TSHR
SCHEMBL2217741 0.79 TRPA1 (0.45) GRM6ARADRA1AADRA1BTSHR
SCHEMBL6984283 0.79 SLC7A5 (0.38) GRM6ARELANEUTS2RADRA1A
SCHEMBL25142572 0.78 HSD17B10 (0.45) GRM6ARADRA1AADRA1BTSHR
SCHEMBL486746 0.78 KMT2A (0.46) GRM6ARADRA1AADRA1BTSHR
SCHEMBL9102841 0.77 PTGER1 (0.49) TSHRMEN1ESR1KMT2AMAPT
SCHEMBL109178 0.76 TSHR (0.50) GRM6ELANEADRA1AADRA1BTSHR
SCHEMBL30111657 0.76 TSHR (0.50) GRM6ELANEADRA1AADRA1BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0084715-B1 A PROCESS FOR PREPARING POLY(P-METHYLSTYRENE) MOBIL OIL CORPORATION (US) 1986-10-22 EP claimed
US-5451654-A Addition polymerization catalyst ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-09-19 US disclosed
US-5387654-A Hydroxy-peroxides and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-02-07 US disclosed
EP-0381135-B1 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA (US) 1994-06-01 EP disclosed
US-5304649-A Curing agent for unsaturated polyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-19 US disclosed
EP-0381135-A2 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA, INC. (US) 1990-08-08 EP disclosed
EP-0084715-B1 A PROCESS FOR PREPARING POLY(P-METHYLSTYRENE) MOBIL OIL CORPORATION (US) 1986-10-22 EP disclosed
US-4503187-A P-Methylstyrene copolymer blends MOBIL OIL CORPORATION (US) 1985-03-05 US disclosed
EP-0084715-A1 A process for preparing poly(P-methylstyrene) MOBIL OIL CORPORATION (US) 1983-08-03 EP disclosed
US-4362854-A Poly(p-methylstyrene) with broad molecular weight distribution and process for preparation MOBIL OIL CORPORATION (US) 1982-12-07 US disclosed