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SCHEMBL10078451

SCHEMBL10078451

CC(C)(O)CON1C(C)(C)CC(OC(=O)CC(O)(CC(=O)OC2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)CC1(C)C.[KH]

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL3799938 0.99 TSHR (0.32) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL3803300 0.89 TSHR (0.34) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL4710333 0.88 TSHR (0.33) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL3801165 0.87 ALDH1A1 (0.35) TSHRKMT2AALDH1A1
SCHEMBL3797435 0.85 ALDH1A1 (0.36) TSHRKMT2AALDH1A1
SCHEMBL670500 0.85 TSHR (0.30) TSHRKMT2A
SCHEMBL39577 0.84 KMT2A (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL12020715 0.84 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL13487345 0.83 TSHR (0.34) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL12020737 0.83 TSHR (0.34) TSHRKMT2AALDH1A1ESR1HSD17B10

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
US-8216596-B2 4-Hydroxy-1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidine, citric acid and a body care product; hindered amine salt compounds provide outstanding protection against light-induced fading BASF SE (DE) 2012-07-10 — — US claimed