SCHEMBL8049562

SCHEMBL8049562

CC(O)CCCC=Cc1ncc2cc(-c3ccc(O)c(F)c3F)ccc2n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
KDR P35968 1/20 0.30
JAK3 P52333 1/20 0.30
AURKB Q96GD4 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
SCHEMBL8049556 1.00 PDE3B (0.34) PDE3BPDE3AP2RY12ESR1ESR2
SCHEMBL8049430 0.87 PDE3B (0.35) PDE3BPDE3AP2RY12ESR1ESR2
SCHEMBL8049424 0.87 PDE3B (0.35) PDE3BPDE3AP2RY12ESR1ESR2
SCHEMBL8046907 0.86 ESR2 (0.40) PDE3BPDE3AP2RY12ESR1ESR2
SCHEMBL8046902 0.86 ESR2 (0.40) PDE3BPDE3AP2RY12ESR1ESR2
SCHEMBL8054209 0.86 PDE3B (0.32) PDE3BPDE3AP2RY12
SCHEMBL8054204 0.86 PDE3B (0.32) PDE3BPDE3AP2RY12
SCHEMBL8050912 0.85 JAK2 (0.30) JAK2JAK1TYK2KDRJAK3
SCHEMBL8050907 0.85 JAK2 (0.30) JAK2JAK1TYK2KDRJAK3
SCHEMBL8036808 0.85 PDE3B (0.33) PDE3BPDE3AP2RY12

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