SCHEMBL7880696

SCHEMBL7880696

CCOC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
EPHX2 P34913 10/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7877415 0.96 SMYD3 (0.42) NAAAALDH1A1ALOX15TDP1USP2
SCHEMBL7873193 0.93 GAA (0.41) NAAAALDH1A1ALOX15TDP1USP2
SCHEMBL6905751 0.91 NAAA (0.47) NAAAEPHX2SMN1; SMN2GAAHTT
SCHEMBL30595294 0.91 NAAA (0.47) NAAAEPHX2SMN1; SMN2GAAHTT
SCHEMBL755468 0.91 NAAA (0.47) NAAAEPHX2SMN1; SMN2GAAHTT
SCHEMBL30595298 0.91 NAAA (0.47) NAAAEPHX2SMN1; SMN2GAAHTT
SCHEMBL12382052 0.91 NAAA (0.47) NAAAEPHX2SMN1; SMN2GAAHTT
Hydrochloric Acid SCHEMBL5504535 0.90 SMN1; SMN2 (0.49) NAAAEPHX2SMN1; SMN2GAAHTT
SCHEMBL316372 0.89 SMN1; SMN2 (0.47) NAAAALDH1A1EPHX2SMN1; SMN2GAA
SCHEMBL316828 0.88 NAAA (0.58) NAAASMN1; SMN2GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703220-B1 Process for the preparation of N-oxyl hindered amine esters using tetraalkyl orthotitanate tranesterification catalysts CIBA SC HOLDING AG (CH) 2001-01-03 EP claimed
EP-0703220-A1 Process for the preparation of N-oxyl hindered amine esters using tetraalkyl orthotitanate tranesterification catalysts CIBA-GEIGY AG (CH) 1996-03-27 EP claimed
EP-0703220-B1 Process for the preparation of N-oxyl hindered amine esters using tetraalkyl orthotitanate tranesterification catalysts CIBA SC HOLDING AG (CH) 2001-01-03 EP disclosed
US-5574163-A TRANSESTERIFICATION CIBA-GEIGY CORPORATION (US) 1996-11-12 US disclosed
EP-0703220-A1 Process for the preparation of N-oxyl hindered amine esters using tetraalkyl orthotitanate tranesterification catalysts CIBA-GEIGY AG (CH) 1996-03-27 EP disclosed