SCHEMBL9334229

SCHEMBL9334229

CC1(C)CC(OOC(=O)O)CC(C)(C)N1OC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
KMT2A Q03164 1/20 0.33
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 0.80 TSHR (0.38) TSHRKMT2A
SCHEMBL6174558 0.80 APLNR (0.42) TSHRKMT2A
SCHEMBL8462829 0.78 TSHR (0.49) TSHRKMT2A
SCHEMBL9273053 0.77 TSHR (0.31) TSHRKMT2A
SCHEMBL9270235 0.76 TSHR (0.38) TSHRKMT2A
SCHEMBL13412654 0.76 CYP2C19 (0.40) TSHRKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL9337013 0.76 TSHR (0.35) TSHRKMT2A
SCHEMBL13474861 0.76 TSHR (0.35) TSHRKMT2A
SCHEMBL580975 0.76 NAAA (0.45) TSHRKMT2A
SCHEMBL9270239 0.76 TSHR (0.38) TSHRKMT2A

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 1 patent. 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