SCHEMBL8047660

SCHEMBL8047660

C=CCOc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)c(F)c3F)cn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
MAOB P27338 2/20 0.34
MAPT P10636 6/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL8047655 1.00 CYP2D6 (0.35) CYP2D6MAOBMAPTPDE3BPDE3A
SCHEMBL8048315 0.95 CYP2D6 (0.33) CYP2D6MAOBMAPTPDE3BPDE3A
SCHEMBL8048318 0.95 CYP2D6 (0.33) CYP2D6MAOBMAPTPDE3BPDE3A
SCHEMBL8047700 0.94 CYP2D6 (0.35) CYP2D6MAOBMAPTPDE3BPDE3A
SCHEMBL8047696 0.94 CYP2D6 (0.35) CYP2D6MAOBMAPTPDE3BPDE3A
SCHEMBL8046851 0.91 CYP2D6 (0.40) CYP2D6MAOBMAPTPDE3BPDE3A
SCHEMBL8046844 0.91 CYP2D6 (0.40) CYP2D6MAOBMAPTPDE3BPDE3A
SCHEMBL8046289 0.91 CYP2D6 (0.35) CYP2D6MAOBPDE3BPDE3AP2RY12
SCHEMBL8046296 0.91 CYP2D6 (0.35) CYP2D6MAOBPDE3BPDE3AP2RY12
SCHEMBL8045846 0.90 CYP2D6 (0.39) CYP2D6MAOBMAPTPDE3BPDE3A

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