SCHEMBL5076224

SCHEMBL5076224

CC(C)(C)NCCOC(=O)OC1CC2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 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
SCHEMBL5075643 0.82 EPHX2 (0.33) EPHX2KDM4ELMNAALDH1A1KMT2A
SCHEMBL5352666 0.80 KDM4E (0.33) EPHX2KDM4ELMNAALDH1A1KMT2A
SCHEMBL5074410 0.80 EPHX2 (0.35) EPHX2KDM4ELMNAALDH1A1
SCHEMBL26212351 0.79 KDM4E (0.34) EPHX2KDM4ELMNAALDH1A1KMT2A
SCHEMBL2135886 0.78 ALDH1A1 (0.46) EPHX2KDM4ELMNAALDH1A1KMT2A
SCHEMBL5365496 0.78 ALDH1A1 (0.37) EPHX2KDM4ELMNAALDH1A1
SCHEMBL4402348 0.78 KDM4E (0.47) EPHX2KDM4ELMNAALDH1A1KMT2A
SCHEMBL14449006 0.78 KDM4E (0.47) EPHX2KDM4ELMNAALDH1A1KMT2A
SCHEMBL5347727 0.77 ALDH1A1 (0.39) EPHX2KDM4ELMNAALDH1A1KMT2A
SCHEMBL5076832 0.77 CHRM2 (0.38) KDM4ELMNAALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937734-B1 BIOCIDAL POLYMERS KE KELIT KUNSTSTOFFWERK GES M B H (AT) 2018-04-04 EP disclosed
EP-1937734-A2 BIOCIDAL POLYMERS KE-KELIT Kunststoffwerk Gesellschaft m.b.H. (AT) 2008-07-02 EP disclosed
WO-2007045634-A2 BIOCIDAL POLYMERS KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2007-04-26 WO disclosed