SCHEMBL8498262

SCHEMBL8498262

COCCOCCOc1ccnc(-c2cc(OCCOCCOC)ccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.55
CCR5 P51681 1/20 0.55
CCR8 P51685 1/20 0.55
MAOA P21397 1/20 0.47
DYRK1A Q13627 1/20 0.47
APP P05067 2/20 0.44
SYK P43405 2/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RECQL P46063 1/20 0.41
NCF1 P14598 6/20 0.39
MIF P14174 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HTT P42858 1/20 0.37
TSHR P16473 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
SCHEMBL30950694 1.00 CCR1 (0.55) CCR1CCR5CCR8MAOADYRK1A
SCHEMBL15223391 0.94 CCR1 (0.61) CCR1CCR5CCR8MAOADYRK1A
SCHEMBL26750957 0.92 CCR1 (0.47) CCR1CCR5CCR8MAOADYRK1A
SCHEMBL26750965 0.91 CCR1 (0.46) CCR1CCR5CCR8MAOADYRK1A
SCHEMBL18085347 0.85 CCR1 (0.50) CCR1CCR5CCR8MAOADYRK1A
SCHEMBL20046378 0.83 MAOA (0.45) MAOADYRK1AAPPKDM4EMAPK1
SCHEMBL15627404 0.79 KDM4E (0.49) MAOADYRK1AAPPKDM4ERECQL
SCHEMBL12568190 0.79 KDM4E (0.49) MAOADYRK1AAPPKDM4ERECQL
SCHEMBL4807357 0.79 KDM4E (0.49) MAOADYRK1AAPPKDM4ERECQL
SCHEMBL12423162 0.79 KDM1A (0.47) MAOAAPPKDM4ERECQL

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
US-5981286-A USED AS LUMINESCENT MARKER GROUPS IN IMMUNOASSAYS; A LANTHANIDE OR TRANSITIONAL METAL COMPLEX CONTAINING ATLEAST TWO NITROGEN CONTAINING HETEROCYCLIC LIGAND ATTACHED TO METAL VIA NITROGEN ATOM, A REACTIVE GROUP, A HYDROPHILIC GROUP ROCHE DIAGNOSTICS, GMBH (DE) 1999-11-09 US disclosed