SCHEMBL20179641

SCHEMBL20179641

CC(C)(C)C(=O)Oc1ccc2c(c1)OCC=C2OS(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
HSD17B10 Q99714 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A4 P31645 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL20179806 0.89 ELANE (0.38) ELANEMAPTMEN1KMT2AESR1
SCHEMBL20165031 0.80 ELANE (0.39) ELANEMAPTMEN1KMT2AESR1
SCHEMBL29756860 0.80 ELANE (0.39) ELANEMAPTMEN1KMT2AESR1
SCHEMBL20179677 0.79 ELANE (0.40) ELANEMAPTMEN1KMT2ACA2
SCHEMBL24380625 0.77 ELANE (0.38) ELANEMAPTMEN1KMT2ACA2
SCHEMBL23336111 0.75 ELANE (0.38) ELANEMAPTMEN1KMT2ACA2
SCHEMBL20179807 0.72 MAPT (0.38) ELANEMAPTMEN1KMT2AESR1
SCHEMBL20179679 0.72 LMNA (0.33) ELANEMAPT
SCHEMBL20179916 0.71
SCHEMBL20165456 0.70 ELANE (0.38) ELANEMAPTMEN1KMT2AESR1

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-2018091153-A1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2018-05-24 WO disclosed