SCHEMBL11204992

SCHEMBL11204992

CCOC(=O)C(F)(OS(=O)(=O)O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.38
PKM P14618 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 4/20 0.37
THRB P10828 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL10825828 0.89 KMT2A (0.35) HTTKMT2AMEN1TSHRLMNA
SCHEMBL12733084 0.78 ALDH1A1 (0.40) HTTKMT2AMEN1TSHRLMNA
SCHEMBL11281286 0.78 SMN1; SMN2 (0.40) KMT2AMEN1TSHRLMNAPKM
SCHEMBL17469690 0.76 CYP4F2 (0.42) HTTKMT2AMEN1TSHRLMNA
SCHEMBL12840948 0.74 CYP4F2 (0.38) HTTKMT2AMEN1TSHRLMNA
Fluoride SCHEMBL11031597 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2610388 0.74 ALDH1A1 (0.44) HTTKMT2AMEN1TSHRLMNA
SCHEMBL2110889 0.72 ALDH1A1 (0.43) HTTKMT2AMEN1TSHRLMNA
SCHEMBL15858345 0.72 CYP4F2 (0.39) HTTKMT2AMEN1TSHRLMNA
SCHEMBL21135744 0.72 CYP4F2 (0.40) HTTKMT2AMEN1TSHRLMNA

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-4401829-A Process for the preparation of perfluorinated carboxylic acid fluorides HOECHST AKTIENGESELLSCHAFT (DE) 1983-08-30 US disclosed