SCHEMBL2625525

SCHEMBL2625525

CC(C)C(=O)C1(C)COC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
FFAR3 O14843 1/20 0.31
ACACB O00763 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
SCHEMBL13242078 0.83 KCNA4 (0.34)
SCHEMBL25671613 0.82 FFAR3 (0.31) FFAR3
SCHEMBL22047385 0.82 FFAR3 (0.31) FFAR3
SCHEMBL13954120 0.76 ALDH1A1 (0.34) FFAR3
SCHEMBL24245894 0.76 FFAR3 (0.35) FFAR3
SCHEMBL2605491 0.76
SCHEMBL13934073 0.73
SCHEMBL27868339 0.73 EPHX1 (0.39) EPHX1FFAR3
SCHEMBL12044442 0.72 FFAR3 (0.38) FFAR3
SCHEMBL2625519 0.72 FFAR3 (0.38) FFAR3

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-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed