SCHEMBL635702

SCHEMBL635702

CC(C)(C)O[C@@H]1C[C@](C)(C(=O)O)C[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35

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
SCHEMBL2410423 0.79 FFAR3 (0.39) FFAR3
SCHEMBL637168 0.79 FFAR3 (0.39) FFAR3
SCHEMBL636061 0.79 FFAR3 (0.39) FFAR3
SCHEMBL25543666 0.77 FFAR3 (0.41) FFAR3
SCHEMBL637102 0.76 FFAR3 (0.52) FFAR3
SCHEMBL17923843 0.76 FFAR3 (0.52) FFAR3
SCHEMBL636663 0.76 FFAR3 (0.52) FFAR3
SCHEMBL12297657 0.72 FFAR3 (0.48) FFAR3
SCHEMBL18373636 0.69 FFAR3 (0.41) FFAR3
SCHEMBL23097543 0.68 BRD4 (0.32)

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-8119806-B2 Cicletanine derivatives MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed