SCHEMBL8048935

SCHEMBL8048935

C=CCOc1ccc2nc(-c3ccc(C=CCCCC(C)OCCCCC)c(F)c3F)cnc2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8048929 1.00 APP (0.33) APPKDM4ENPC1ALDH1A1MAPT
SCHEMBL8053353 0.91 APP (0.30) APPKDM4ENPC1ALDH1A1MAPT
SCHEMBL8053357 0.91 APP (0.30) APPKDM4ENPC1ALDH1A1MAPT
SCHEMBL8037044 0.91 MAPT (0.33) MAPT
SCHEMBL8037042 0.91 MAPT (0.33) MAPT
SCHEMBL8036831 0.90 NPC1 (0.32) NPC1RAB9A
SCHEMBL8036826 0.90 NPC1 (0.32) NPC1RAB9A
SCHEMBL8048538 0.90 KDM4E (0.30) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL8048533 0.90 KDM4E (0.30) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL8046693 0.90 KDM4E (0.37) APPKDM4ENPC1ALDH1A1MAPT

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-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed