SCHEMBL20000844

SCHEMBL20000844

CC1=NC(=O)C(CC(C)C)N1C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 5/20 0.40
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL20000850 0.72 SORT1 (0.38) SORT1
SCHEMBL20067153 0.72 SORT1 (0.38) SORT1
SCHEMBL28954451 0.70 HDAC6 (0.42) SORT1HDAC6
SCHEMBL14907173 0.66
SCHEMBL24661332 0.63 HDAC6 (0.32) HDAC6
SCHEMBL14430980 0.63 HDAC6 (0.32) HDAC6
SCHEMBL12291485 0.60 HDAC6 (0.39) HDAC6
SCHEMBL12291466 0.60 HDAC6 (0.39) HDAC6
SCHEMBL20000848 0.60 HDAC6 (0.31) HDAC6
SCHEMBL12291484 0.59 HDAC6 (0.38) HDAC6

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
WO-2018058109-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS NUSIRT SCIENCES, INC. (US) 2018-03-29 WO disclosed