SCHEMBL20179690

SCHEMBL20179690

CC(C)(C)C(=O)Oc1ccc2c(c1)C(OOSC(F)(F)F)=CCCS2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.37
CTSL P07711 1/20 0.33
CA2 P00918 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RYR2 Q92736 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
SCHEMBL20165337 0.80 ELANE (0.40) ELANECTSLCA2
SCHEMBL20165197 0.72 ELANE (0.40) ELANECA2
SCHEMBL20179710 0.69 ELANE (0.45) ELANECA2MEN1KMT2ARYR2
SCHEMBL20179807 0.67 MAPT (0.38) ELANECA2MEN1KMT2A
SCHEMBL20179699 0.64 ELANE (0.38) ELANECA2MEN1KMT2A
SCHEMBL20165128 0.63 KDM4E (0.63) ELANECA2MEN1KMT2A
SCHEMBL29756838 0.63 KDM4E (0.63) ELANECA2MEN1KMT2A
SCHEMBL20179709 0.63 ELANE (0.46) ELANECA2MEN1KMT2A
SCHEMBL20165113 0.62 KDM4E (0.53) ELANECA2MEN1KMT2A
SCHEMBL22664171 0.62 ELANE (0.42) ELANECA2

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