SCHEMBL8046647

SCHEMBL8046647

C=CCOc1ccc2cc(-c3ccc(C=CCCCC(C)O)c(F)c3F)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.36
ABL1 P00519 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
MAPT P10636 8/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.35
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
MAOB P27338 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 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
SCHEMBL8046643 1.00 SRC (0.36) SRCABL1PDE3BPDE3AP2RY12
SCHEMBL8046851 0.92 CYP2D6 (0.40) PDE3BPDE3AP2RY12MAPTLMNA
SCHEMBL8046844 0.92 CYP2D6 (0.40) PDE3BPDE3AP2RY12MAPTLMNA
SCHEMBL8045850 0.91 CYP2D6 (0.39) PDE3BPDE3AP2RY12MAPTLMNA
SCHEMBL8045846 0.91 CYP2D6 (0.39) PDE3BPDE3AP2RY12MAPTLMNA
SCHEMBL8046964 0.88 SRC (0.38) SRCABL1PDE3BPDE3AP2RY12
SCHEMBL8046970 0.88 SRC (0.38) SRCABL1PDE3BPDE3AP2RY12
SCHEMBL8036919 0.88 MAPT (0.39) SRCABL1PDE3BPDE3AP2RY12
SCHEMBL8036913 0.88 MAPT (0.39) SRCABL1PDE3BPDE3AP2RY12
SCHEMBL8051410 0.87 PDE3B (0.38) SRCABL1PDE3BPDE3AP2RY12

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