SCHEMBL935196

SCHEMBL935196

NOCC(=O)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.37
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA2 P00918 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
SCHEMBL935439 0.98 GBA1 (0.38) GBA1ALDH1A1POLBSMN1; SMN2FAAH
SCHEMBL933568 0.98 GBA1 (0.38) GBA1ALDH1A1POLBSMN1; SMN2FAAH
SCHEMBL6027725 0.89 GBA1 (0.35) GBA1CA2
SCHEMBL8087339 0.82 GBA1 (0.49) GBA1ALDH1A1POLBSMN1; SMN2FAAH
SCHEMBL8088030 0.80 GBA1 (0.50) GBA1ALDH1A1POLBSMN1; SMN2FAAH
SCHEMBL31218391 0.79 GBA1 (0.39) GBA1ALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL6027439 0.78 GBA1 (0.32) GBA1ALDH1A1CA2
SCHEMBL6027767 0.78 GBA1 (0.40) GBA1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6027301 0.78 GBA1 (0.40) GBA1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6027505 0.76 CA2 (0.33) GBA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196297-A1 MASS TAGS FOR MASS SPECTROMETRIC ANALYSIS OF IMMUNOGLOBULINS YOST RICHARD A (US) 2012-08-02 US disclosed
WO-2011008831-A2 MASS TAGS FOR SPECTROMETRIC ANALYSIS OF IMMUNOGLOBULINS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-01-20 WO disclosed
US-20060263886-A1 Fluorous labeling for selective processing of biologically-derived samples PETERS ERIC 2006-11-23 US disclosed
EP-1687643-A1 FLUOROUS LABELING FOR SELECTIVE PROCESSING OF BIOLOGICALLY-DERIVED SAMPLES IRM, LLC (BM) 2006-08-09 EP disclosed
WO-2005050226-A1 FLUOROUS LABELING FOR SELECTIVE PROCESSING OF BIOLOGICALLY-DERIVED SAMPLES IRM LLC (BM) 2005-06-02 WO disclosed