SCHEMBL8047653

SCHEMBL8047653

C=CCOc1ccc2nc(-c3ccc(C=CCCCC(C)O)cc3)cnc2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.40
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37
MAPT P10636 6/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 2/20 0.36
SRC P12931 2/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL8047647 1.00 APP (0.40) APPPDE3BPDE3AP2RY12MAPT
SCHEMBL8048526 0.94 MAPT (0.38) APPPDE3BPDE3AP2RY12MAPT
SCHEMBL8048532 0.94 MAPT (0.38) APPPDE3BPDE3AP2RY12MAPT
SCHEMBL8046333 0.89 MAPT (0.45) PDE3BPDE3AP2RY12MAPTKDM4E
SCHEMBL8046341 0.89 MAPT (0.45) PDE3BPDE3AP2RY12MAPTKDM4E
SCHEMBL8051345 0.88 APP (0.38) APPPDE3BPDE3AP2RY12MAPT
SCHEMBL8051338 0.88 APP (0.38) APPPDE3BPDE3AP2RY12MAPT
SCHEMBL8048650 0.87 PDE3B (0.33) APPPDE3BPDE3AP2RY12MAPT
SCHEMBL8048657 0.87 PDE3B (0.33) APPPDE3BPDE3AP2RY12MAPT
SCHEMBL8046602 0.86 NPC1 (0.41) MAPTKDM4ENPC1ALDH1A1HPGD

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