SCHEMBL8046065

SCHEMBL8046065

C=CCOc1ccc(-c2ccc3cc(C=CCCCC(C)O)ccc3n2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.35
MAOB P27338 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
MIF P14174 3/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ABL1 P00519 1/20 0.30
SRC P12931 1/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA9 Q16790 2/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 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
SCHEMBL8046060 1.00 MAPT (0.35) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL8036901 0.97 MAPT (0.36) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL8036899 0.97 MAPT (0.36) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL8047397 0.89 PDE3B (0.33) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL8047388 0.89 PDE3B (0.33) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL8053820 0.89 NPC1 (0.38) MAPTPDE3BPDE3AP2RY12LMNA
SCHEMBL8053822 0.89 NPC1 (0.38) MAPTPDE3BPDE3AP2RY12LMNA
SCHEMBL8036913 0.88 MAPT (0.39) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL8036919 0.88 MAPT (0.39) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL8054206 0.87 MEN1 (0.34) MAPTPDE3BPDE3AP2RY12LMNA

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