SCHEMBL8046326

SCHEMBL8046326

C=CCOc1ccc(-c2ccc3cc(C=CCCCC(C)O)ccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
MAOB P27338 2/20 0.40
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
SRC P12931 2/20 0.34
CYP2D6 P10635 1/20 0.34
ABL1 P00519 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SLC5A1 P13866 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
SCHEMBL8046321 1.00 MAPT (0.42) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL8046341 0.95 MAPT (0.45) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL8046333 0.95 MAPT (0.45) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL7553246 0.91 MAPT (0.39) MAPTMAOBNPC1RAB9ATP53
SCHEMBL7553244 0.91 MAPT (0.39) MAPTMAOBNPC1RAB9ATP53
SCHEMBL8048526 0.88 MAPT (0.38) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL8048532 0.88 MAPT (0.38) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL8047658 0.88 NPC1 (0.40) PDE3BPDE3AP2RY12NPC1RAB9A
SCHEMBL8047652 0.88 NPC1 (0.40) PDE3BPDE3AP2RY12NPC1RAB9A
SCHEMBL8051384 0.87 NPC1 (0.39) PDE3BPDE3AP2RY12NPC1RAB9A

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