SCHEMBL11938254

SCHEMBL11938254

CC(F)(F)C(F)(F)OC(F)(F)C(=O)NCCOCCO

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL11938229 0.92 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACA14POLB
SCHEMBL11938263 0.87 MEN1 (0.36) ALDH1A1MEN1KMT2ACA14POLB
SCHEMBL11938262 0.85 MEN1 (0.35) MEN1KMT2A
SCHEMBL11938264 0.85 MEN1 (0.35) MEN1KMT2A
SCHEMBL13915083 0.81 MEN1 (0.37) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL14980570 0.78 MEN1 (0.39) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL13915151 0.78 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ACA14POLB
SCHEMBL2777997 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ACA14POLB
SCHEMBL8404325 0.77 MEN1 (0.41) ALDH1A1MEN1KMT2ACNR1CNR2
SCHEMBL24243983 0.75 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2ACA14POLB

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-8227610-B2 Compositions and methods for producing cellular labels for nuclear magnetic resonance techniques CARNEGIE MELLON UNIVERSITY (US) 2012-07-24 — — US disclosed
Send feedback