SCHEMBL9334232

SCHEMBL9334232

CC1(C)CC(OC(=O)OO)CC(C)(C)N1OC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 2/20 0.35
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C19 P33261 1/20 0.33
NAAA Q02083 2/20 0.33
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10067197 0.92 TSHR (0.38) TSHRKMT2AEPHX1ALDH1A1ESR1
SCHEMBL8462829 0.84 TSHR (0.49) TSHRKMT2AEPHX1ALDH1A1ESR1
SCHEMBL13474861 0.82 TSHR (0.35) TSHRKMT2AEPHX1ALDH1A1ESR1
SCHEMBL9270239 0.82 TSHR (0.38) TSHRKMT2AEPHX1ALDH1A1ESR1
SCHEMBL8944559 0.82 EPHX1 (0.41) TSHRKMT2AEPHX1ALDH1A1ESR1
SCHEMBL13412654 0.82 CYP2C19 (0.40) TSHRKMT2AEPHX1ALDH1A1ESR1
Hydrochloric Acid SCHEMBL9337013 0.82 TSHR (0.35) TSHRKMT2AEPHX1ALDH1A1ESR1
SCHEMBL580975 0.82 NAAA (0.45) TSHRKMT2AEPHX1ALDH1A1ESR1
SCHEMBL9270235 0.82 TSHR (0.38) TSHRKMT2AEPHX1ALDH1A1ESR1
SCHEMBL9195941 0.79 CYP2C19 (0.38) TSHRKMT2AEPHX1ALDH1A1ESR1

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
EP-0389423-B1 Peroxide compounds containing hindered amine moieties with low basicity CIBA GEIGY AG (CH) 1994-04-27 EP claimed
US-5204422-A Peroxide free radical initiators containing hindered amine moieties with low basicity CIBA-GEIGY CORPORATION (US) 1993-04-20 US claimed
US-5051511-A Hindered amine light stabilizers and polymerization catalysts CIBA-GEIGY CORPORATION (US) 1991-09-24 US claimed
EP-0389423-A1 Peroxide compounds containing hindered amine moieties with low basicity CIBA-GEIGY AG (CH) 1990-09-26 EP claimed
EP-0389423-B1 Peroxide compounds containing hindered amine moieties with low basicity CIBA GEIGY AG (CH) 1994-04-27 EP disclosed
US-5204422-A Peroxide free radical initiators containing hindered amine moieties with low basicity CIBA-GEIGY CORPORATION (US) 1993-04-20 US disclosed
US-5140081-A Peroxide free radical initiators containing hindered amine moieties with low basicity CIBA-GEIGY CORPORATION (US) 1992-08-18 US disclosed
US-5051511-A Hindered amine light stabilizers and polymerization catalysts CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed
EP-0389423-A1 Peroxide compounds containing hindered amine moieties with low basicity CIBA-GEIGY AG (CH) 1990-09-26 EP disclosed