SCHEMBL20179677

SCHEMBL20179677

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.40
MPO P05164 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA2 P00918 5/20 0.34
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL24380625 0.94 ELANE (0.38) ELANEMEN1KMT2ACA2MAPT
SCHEMBL23336111 0.85 ELANE (0.38) ELANEMEN1KMT2ACA2KDM4E
SCHEMBL20179806 0.82 ELANE (0.38) ELANEMEN1KMT2ACA2MAPT
SCHEMBL29756881 0.81 ELANE (0.40) ELANEMPOMEN1KMT2ACA2
SCHEMBL20165338 0.81 ELANE (0.40) ELANEMPOMEN1KMT2ACA2
SCHEMBL20179641 0.79 ELANE (0.39) ELANEMEN1KMT2ACA2MAPT
SCHEMBL19132407 0.75 ELANE (0.39) ELANEMEN1KMT2ACA2MAPT
SCHEMBL29756763 0.75 ELANE (0.39) ELANEMEN1KMT2ACA2MAPT
SCHEMBL23335926 0.73 ELANE (0.32) ELANE
SCHEMBL24357428 0.72 PTGS2 (0.36) ELANEMEN1KMT2A

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