SCHEMBL14664336

SCHEMBL14664336

CCCCC(CC)OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
ALDH1A1 P00352 3/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSK P43235 1/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 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
SCHEMBL24919785 0.82 LMNA (0.38) TSHRDNM1
SCHEMBL12140601 0.79 CA2 (0.38) CA2CA1ALDH1A1PRKCAPRKCD
SCHEMBL20113193 0.75
SCHEMBL14664335 0.74
SCHEMBL31197929 0.73
SCHEMBL21046096 0.73 OPRM1 (0.36) CA2CA1TSHRDNM1MAPK1
SCHEMBL3339498 0.73 CA2 (0.36) CA2CA1ALDH1A1DNM1MAPK1
SCHEMBL22518413 0.73 OPRM1 (0.36) CA2CA1TSHRDNM1MAPK1
SCHEMBL23717674 0.72 CES1 (0.33) DNM1
SCHEMBL887651 0.72 ALDH1A1 (0.40) CA2CA1ALDH1A1PRKCAPRKCD

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-8362167-B2 Fluorinated imidoylamidine vulcanizing agents for curing perfluoroelastomers polymers LODESTAR INC. (US) 2013-01-29 US disclosed