SCHEMBL2146308

SCHEMBL2146308

CC(C)(C)OC(=O)C1(F)CCNC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 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
SCHEMBL27426214 0.89 KDM4E (0.32) DGAT1
SCHEMBL31449813 0.81
SCHEMBL21776649 0.79 NPSR1 (0.34)
SCHEMBL4955304 0.78 DGAT1 (0.38) DGAT1
Hydrochloric Acid SCHEMBL31191063 0.78 NPSR1 (0.33)
SCHEMBL17040615 0.76
SCHEMBL15055670 0.75 KDM4E (0.35) DGAT1
Methane SCHEMBL27653701 0.74 DPP9 (0.30)
SCHEMBL30659863 0.73 DGAT1 (0.34) DGAT1
SCHEMBL24690286 0.72

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-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed