SCHEMBL20565452

SCHEMBL20565452

COCCOCCOCCOc1cc(C)nc(-c2cc(OCCOCCOCCOC)cc(C)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 3/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
MAOA P21397 1/20 0.37
DYRK1A Q13627 1/20 0.37
TSHR P16473 1/20 0.36
MIF P14174 1/20 0.36
NCF1 P14598 7/20 0.35
GRM5 P41594 1/20 0.34
LMNA P02545 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
SCHEMBL31703986 0.76 CCR1 (0.46) APPKDM4ETDP1MAPK1TSHR
SCHEMBL13413138 0.76 KDM4E (0.42) ALDH1A1KDM4ERECQLTDP1MAPK1
SCHEMBL13021583 0.76 MEN1 (0.45) ALDH1A1KDM4ERECQLTDP1MAPK1
SCHEMBL8498262 0.74 CCR1 (0.55) APPKDM4ERECQLTDP1MAPK1
SCHEMBL30950694 0.74 CCR1 (0.55) APPKDM4ERECQLTDP1MAPK1
SCHEMBL12299798 0.74 ALDH1A1 (0.48) APPALDH1A1KDM4ERECQLTDP1
SCHEMBL7686935 0.73 KDM4E (0.40) APPALDH1A1KDM4ERECQLTDP1
SCHEMBL22219086 0.71 ALDH1A1 (0.41) ALDH1A1KDM4ERECQLTDP1MAPK1
SCHEMBL3475322 0.71 ALDH1A1 (0.41) ALDH1A1KDM4ERECQLTDP1MAPK1
SCHEMBL12703538 0.71 KDM4E (0.61) APPKDM4ERECQLTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3407361-A1 REDOX MELTS FORMED BY COPPER (I)/(II) COMPLEXES AS CHARGE TRANSFER AND CHARGE STORAGE MATERIALS Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2018-11-28 EP claimed
EP-3407361-A1 REDOX MELTS FORMED BY COPPER (I)/(II) COMPLEXES AS CHARGE TRANSFER AND CHARGE STORAGE MATERIALS Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2018-11-28 EP disclosed