SCHEMBL8034963

SCHEMBL8034963

CC(O)CCC/C=C/c1ccc(-c2ccc3cc(O)ccc3n2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
MAPT P10636 6/20 0.33
MAOB P27338 2/20 0.33
TYR P14679 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
PFKFB3 Q16875 1/20 0.31
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL8034967 1.00 ESR1 (0.38) ESR1ESR2MAPTMAOBTYR
SCHEMBL8044442 0.87 PDE3B (0.34) TYRPDE3BPDE3AP2RY12
SCHEMBL8044445 0.87 PDE3B (0.34) TYRPDE3BPDE3AP2RY12
SCHEMBL8043666 0.87 MAPK10 (0.40) ESR1ESR2MAPTTYRPDE3B
SCHEMBL8043669 0.87 MAPK10 (0.40) ESR1ESR2MAPTTYRPDE3B
SCHEMBL8048647 0.86 MAPT (0.31) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL8048653 0.86 MAPT (0.31) MAPTMAOBPDE3BPDE3AP2RY12
SCHEMBL8047675 0.86 ESR2 (0.36) ESR1ESR2MAPTMAOBTYR
SCHEMBL8047669 0.86 ESR2 (0.36) ESR1ESR2MAPTMAOBTYR
SCHEMBL8036022 0.85 ESR2 (0.42) ESR1ESR2TYRPDE3BPDE3A

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