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SCHEMBL8098334

SCHEMBL8098334

CC1(C)CC(N(C=O)CCCCCCN(C=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.COc1ccc(C=C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 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
SCHEMBL78186 0.82 HTT (0.40) GAA
SCHEMBL24453525 0.79 HTT (0.38) GAA
SCHEMBL5648710 0.79 GAA (0.46) GAA
SCHEMBL14001979 0.77 ALDH1A1 (0.38) GAA
SCHEMBL7193144 0.77 HTT (0.42) GAA
SCHEMBL21298584 0.76 HTT (0.37) GAA
SCHEMBL23071653 0.74 RAB9A (0.35) GAA
SCHEMBL3737768 0.74 ALDH1A1 (0.33) GAA
SCHEMBL13568624 0.74 ALDH1A1 (0.34) GAA
SCHEMBL12646437 0.73 KMT2A (0.34) GAA

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-6060545-A COMPOSITIONS COMPRISING ORGANIC MATERIAL SUBJECT TO OXIDATIVE, THERMAL OR LIGHT-INDUCED DEGRADATION, AT LEAST ONE BISPHENOL ESTER DERIVATIVE AND CALCIUM LACTATE AND/OR CALCIUM STEARYL-2 LACTYLATE CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-05-09 — — US disclosed