SCHEMBL8051464

SCHEMBL8051464

C=CCOc1cnc(-c2ccc(-c3ccc(C=CCCCC(C)O)c(F)c3F)cc2)nc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.32
CYP2D6 P10635 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
SCHEMBL8051457 1.00 ATM (0.32) ATMCYP2D6
SCHEMBL8046296 0.94 CYP2D6 (0.35) CYP2D6
SCHEMBL8046289 0.94 CYP2D6 (0.35) CYP2D6
SCHEMBL8046140 0.92 CYP2D6 (0.34) ATMCYP2D6
SCHEMBL8046134 0.92 CYP2D6 (0.34) ATMCYP2D6
SCHEMBL8046851 0.90 CYP2D6 (0.40) CYP2D6
SCHEMBL8046844 0.90 CYP2D6 (0.40) CYP2D6
SCHEMBL8045850 0.89 CYP2D6 (0.39) CYP2D6
SCHEMBL8045846 0.89 CYP2D6 (0.39) CYP2D6
SCHEMBL8048318 0.89 CYP2D6 (0.33) CYP2D6

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 3 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-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