SCHEMBL8069435

SCHEMBL8069435

CCOCCc1ccc(-c2ccc(I)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
CYP3A4 P08684 2/20 0.36
IDO1 P14902 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
APP P05067 3/20 0.35
MAOB P27338 2/20 0.35
SIGMAR1 Q99720 2/20 0.34
KCNH2 Q12809 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8081614 0.89 HRH4 (0.43) HRH3HRH4SIGMAR1KCNH2RAB9A
SCHEMBL1338721 0.83 KCNH2 (0.41) KCNH2RAB9ASMN1; SMN2
SCHEMBL11126543 0.82 KCNH2 (0.46) HRH3IDO1HRH4KCNH2RAB9A
SCHEMBL29262951 0.81 CYP3A4 (0.46) HRH3CYP3A4IDO1HRH4APP
SCHEMBL9267888 0.81 KDM4E (0.51) HRH3MAOBKCNH2
SCHEMBL18977625 0.80 CYP3A4 (0.39) CYP3A4IDO1APPKCNH2SMN1; SMN2
SCHEMBL11103330 0.80 ACACB (0.42) HRH3CYP3A4IDO1APPMAOB
SCHEMBL15643365 0.77 LPL (0.45) HRH3RAB9A
SCHEMBL12037019 0.77 TAAR1 (0.50) KCNH2RAB9ASMN1; SMN2
SCHEMBL11129409 0.77 CYP3A4 (0.33) HRH3CYP3A4IDO1HRH4APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713149-B1 Electrophotographic photoreceptor using charge transporting copolyester FUJI XEROX CO LTD (JP) 2000-08-23 EP disclosed
US-5770339-A DICARBOXYLIC ACID COMPONENT CONTAINS ONE OR TWO TERTIARY AMINE GROUPS, IMPROVED SOLUBILITY, FILM FORMATION, CONTROLLABLE IONIZATION POTENTIAL FUJI XEROX CO., LTD. (JP) 1998-06-23 US disclosed
EP-0713149-A1 Organic electronic device using charge transporting copolyester FUJI XEROX CO., LTD. (JP) 1996-05-22 EP disclosed
US-4431564-A 4'-/2-ALKYLOXYETHYL/-4-CYANOBI-OR TERPHENYLS; DISPLAYING; IODINATION AND CYANATION THE ESTER DERIVATIVE CHISSO CORPORATION (JP) 1984-02-14 US disclosed