SCHEMBL8048526

SCHEMBL8048526

C=CCOc1ccc(-c2cnc3cc(/C=C/CCCC(C)O)ccc3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 5/20 0.36
CYP2D6 P10635 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
MAOB P27338 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
SRC P12931 2/20 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
SCHEMBL8048532 1.00 MAPT (0.38) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8047647 0.94 APP (0.40) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8047653 0.94 APP (0.40) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8046326 0.88 MAPT (0.42) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8046321 0.88 MAPT (0.42) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8036889 0.87 GRIN2B (0.33) APPMAOB
SCHEMBL8047397 0.87 PDE3B (0.33) MAPTSMN1; SMN2CYP2D6PDE3BPDE3A
SCHEMBL8047388 0.87 PDE3B (0.33) MAPTSMN1; SMN2CYP2D6PDE3BPDE3A
SCHEMBL8036892 0.87 GRIN2B (0.33) APPMAOB
SCHEMBL8046305 0.87 APP (0.31) MAPTNPC1RAB9AKDM4ESMN1; SMN2

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