SCHEMBL8048072

SCHEMBL8048072

C=CCOc1ccc(-c2ccc3nc(C=CCCCC(C)O)cnc3c2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.32
PDGFRA P16234 2/20 0.32
AAK1 Q2M2I8 1/20 0.31
LSS P48449 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 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
SCHEMBL8048067 1.00 PDGFRB (0.32) PDGFRBPDGFRAAAK1LSSPDE3B
SCHEMBL8053720 0.90
SCHEMBL8053725 0.90
SCHEMBL8051732 0.87 CYP2D6 (0.36) PDE3BPDE3AP2RY12
SCHEMBL8051738 0.87 CYP2D6 (0.36) PDE3BPDE3AP2RY12
SCHEMBL8036889 0.87 GRIN2B (0.33) PDGFRBPDGFRAAAK1
SCHEMBL8036892 0.87 GRIN2B (0.33) PDGFRBPDGFRAAAK1
SCHEMBL8036617 0.87 AAK1 (0.33) PDGFRBPDGFRAAAK1LSS
SCHEMBL8036612 0.87 AAK1 (0.33) PDGFRBPDGFRAAAK1LSS
SCHEMBL8051401 0.86 AAK1 (0.33) PDGFRBPDGFRAAAK1LSS

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