SCHEMBL20179807

SCHEMBL20179807

CC(C)(C)C(=O)Oc1ccc2c(c1)OCCC=C2OSC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ELANE P08246 7/20 0.36
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
GRM5 P41594 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL20165456 0.83 ELANE (0.38) MAPTMEN1KMT2AELANEESR1
SCHEMBL20179806 0.83 ELANE (0.38) MAPTMEN1KMT2AELANEESR1
SCHEMBL20179642 0.76 ELANE (0.42) MAPTMEN1KMT2AELANEESR1
SCHEMBL20179643 0.73 GRM5 (0.63) MAPTMEN1KMT2AGRM5HSD17B10
SCHEMBL20179641 0.72 ELANE (0.39) MAPTMEN1KMT2AELANEESR1
SCHEMBL20165031 0.72 ELANE (0.39) MAPTMEN1KMT2AELANEESR1
SCHEMBL29756860 0.72 ELANE (0.39) MAPTMEN1KMT2AELANEESR1
SCHEMBL20165273 0.71 GRM5 (0.54) MAPTMEN1KMT2AELANEESR1
SCHEMBL20179742 0.67 MEN1 (0.35) MEN1KMT2AELANEESR1ESR2
SCHEMBL20179690 0.67 ELANE (0.37) MEN1KMT2AELANECA2

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