SCHEMBL8932267

SCHEMBL8932267

CC(C)(C)OOC(=O)c1ccccc1C(=O)OCCO

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TSHR P16473 8/20 0.53
TDP1 Q9NUW8 4/20 0.53
HSD17B10 Q99714 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
CYP3A4 P08684 3/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL29631091 0.86 TSHR (0.68) ALDH1A1TSHRTDP1HSD17B10L3MBTL1
SCHEMBL155434 0.86 TSHR (0.68) ALDH1A1TSHRTDP1HSD17B10L3MBTL1
Benzene SCHEMBL12472151 0.84 TSHR (0.71) ALDH1A1TSHRTDP1HSD17B10L3MBTL1
SCHEMBL11655234 0.84 TSHR (0.66) ALDH1A1TSHRTDP1HSD17B10L3MBTL1
SCHEMBL36533 0.84 ALDH1A1 (0.67) ALDH1A1TSHRTDP1HSD17B10L3MBTL1
SCHEMBL30749815 0.82 ALDH1A1 (0.64) ALDH1A1TSHRTDP1HSD17B10L3MBTL1
SCHEMBL10396914 0.82 ALDH1A1 (0.56) ALDH1A1TSHRTDP1HSD17B10L3MBTL1
SCHEMBL18411638 0.82 ALDH1A1 (0.56) ALDH1A1TSHRTDP1HSD17B10L3MBTL1
SCHEMBL9104166 0.80 TSHR (0.57) ALDH1A1TSHRTDP1HSD17B10L3MBTL1
SCHEMBL2439254 0.80 TSHR (0.59) ALDH1A1TSHRTDP1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494988-A FREE RADICAL INITIATORS AS MONOMERS; CROSSLINKING UNSATURATED POLYESTERS; ADDITION, GRAFT AND BLOCK POLYMERIZATION; COMPATIBILIZING BLENDS ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-02-27 US disclosed
US-5489699-A USED AS FREE RADICAL GENERATOR, POLYMERIZING ETHYNICALLY UNSATURATED MONOMERS, CURING AGENT, RHEOLOGICAL MODIFIER,AND FOR GRAFTING AND COMPATIBILIZING POLYMER BLEND ELFATOCHEM NORTH AMERICA, INC. (US) 1996-02-06 US disclosed
US-5475072-A Curing; crosslinking; modifiying; grafting; compatibilizing ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-12-12 US disclosed
US-5451654-A Addition polymerization catalyst ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-09-19 US disclosed
EP-0667339-A1 Novel unsaturated peroxides, polymeric derived therefrom and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-08-16 EP 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