SCHEMBL13858138

SCHEMBL13858138

COC(=O)C(=CC1CC1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL28284033 0.91 PDK1 (0.33) MAPT
SCHEMBL13858241 0.75 GRIK1 (0.31)
SCHEMBL15915880 0.75 GRIK1 (0.31)
SCHEMBL15915882 0.75 GRIK1 (0.31)
SCHEMBL18655700 0.74 ALDH1A1 (0.37) ALDH1A1MAPT
SCHEMBL27608400 0.74 EPHX2 (0.33)
SCHEMBL9421764 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4007809 0.73 RECQL (0.35) ALDH1A1MAPT
SCHEMBL5532962 0.71 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL20042556 0.71 ALDH1A1 (0.35) ALDH1A1MAPT

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-2012158795-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 WO disclosed