SCHEMBL20179709

SCHEMBL20179709

COC1=CCSc2cc(OC(=O)C(C)(C)C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.46
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
CA2 P00918 5/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL22664171 0.82 ELANE (0.42) ELANECA2
SCHEMBL20165030 0.75 ELANE (0.40) ELANECA2MEN1KMT2A
SCHEMBL29756850 0.75 ELANE (0.40) ELANECA2MEN1KMT2A
SCHEMBL20165128 0.75 KDM4E (0.63) ELANEKDM4EHTTCA2MEN1
SCHEMBL29756838 0.75 KDM4E (0.63) ELANEKDM4EHTTCA2MEN1
SCHEMBL20165071 0.73 ELANE (0.38) ELANECA2MEN1KMT2A
SCHEMBL29756723 0.73 ELANE (0.38) ELANECA2MEN1KMT2A
SCHEMBL20165113 0.73 KDM4E (0.53) ELANEKDM4EHTTCA2MEN1
SCHEMBL20165197 0.73 ELANE (0.40) ELANEKDM4EHTTCA2
SCHEMBL21253411 0.72 ELANE (0.42) ELANEKDM4ECA2MEN1KMT2A

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