SCHEMBL5311013

SCHEMBL5311013

NCc1ccc(NC(=O)COC(=O)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.45
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NTRK1 P04629 1/20 0.43
NTRK2 Q16620 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MLYCD O95822 1/20 0.43
ITGB3 P05106 2/20 0.43
ITGB1 P05556 2/20 0.43
ITGAV P06756 2/20 0.43
ITGA5 P08648 2/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6388819 0.81 KLK7 (0.58) KLK7ALDH1A1HTTKMT2AMLYCD
SCHEMBL18953451 0.77 DDX3X (0.51) ALDH1A1HTTMEN1KMT2ANTRK1
SCHEMBL5806183 0.77 LOXL2 (0.38) ITGB3ITGB1ITGAVITGA5SMN1; SMN2
SCHEMBL18227059 0.76 CA12 (0.57) MEN1KMT2AITGB3ITGB1ITGAV
SCHEMBL27662348 0.74 GAA (0.50) KMT2AGAAPOLBSMN1; SMN2
SCHEMBL5823428 0.72 FAAH (0.38) MLYCDSMN1; SMN2
SCHEMBL27966406 0.72 GAA (0.67) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL2854634 0.71 MAPT (0.51) ALDH1A1HTTKMT2ANTRK1NPSR1
Trifluoroacetic Acid SCHEMBL5311009 0.71 ITGB3 (0.54) ALDH1A1HTTMEN1KMT2AITGB3
SCHEMBL1189878 0.71 CA12 (0.59) ALDH1A1HTTMEN1KMT2AGAA

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-2007047575-A2 PHARMACOLOGICAL TREATMENTS FOR SLEEP-RELATED BREATHING DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-26 WO disclosed